2-[(3E)-3-acetyloxyimino-4-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-oxobutyl]sulfanylbenzoic acid;[(E)-[4-(2-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;ethane;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(2-methoxyphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(2-methylphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-naphthalen-1-ylsulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylbutan-2-ylidene]amino] acetate

C215H197ClN12O27S6 — CID 172986530

IUPAC2-[(3E)-3-acetyloxyimino-4-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-oxobutyl]sulfanylbenzoic acid;[(E)-[4-(2-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;ethane;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(2-methoxyphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(2-methylphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-naphthalen-1-ylsulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylbutan-2-ylidene]amino] acetate
SMILESCC.CC.CCn1c2ccc(C(=O)/C(CCSc3cccc4ccccc34)=N/OC(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21.CCn1c2ccc(C(=O)/C(CCSc3ccccc3)=N/OC(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21.CCn1c2ccc(C(=O)/C(CCSc3ccccc3C(=O)O)=N/OC(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21.CCn1c2ccc(C(=O)/C(CCSc3ccccc3C)=N/OC(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21.CCn1c2ccc(C(=O)/C(CCSc3ccccc3Cl)=N/OC(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21.CCn1c2ccc(C(=O)/C(CCSc3ccccc3OC)=N/OC(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21
InChIInChI=1S/C38H32N2O4S.C35H30N2O6S.C35H32N2O5S.C35H32N2O4S.C34H29ClN2O4S.C34H30N2O4S.2C2H6/c1-4-40-34-18-16-27(37(42)29-13-7-5-10-24(29)2)22-31(34)32-23-28(17-19-35(32)40)38(43)33(39-44-25(3)41)20-21-45-36-15-9-12-26-11-6-8-14-30(26)36;1-4-37-30-15-13-23(33(39)25-10-6-5-9-21(25)2)19-27(30)28-20-24(14-16-31(28)37)34(40)29(36-43-22(3)38)17-18-44-32-12-8-7-11-26(32)35(41)42;1-5-37-30-16-14-24(34(39)26-11-7-6-10-22(26)2)20-27(30)28-21-25(15-17-31(28)37)35(40)29(36-42-23(3)38)18-19-43-33-13-9-8-12-32(33)41-4;1-5-37-31-16-14-25(34(39)27-12-8-6-10-22(27)2)20-28(31)29-21-26(15-17-32(29)37)35(40)30(36-41-24(4)38)18-19-42-33-13-9-7-11-23(33)3;1-4-37-30-15-13-23(33(39)25-10-6-5-9-21(25)2)19-26(30)27-20-24(14-16-31(27)37)34(40)29(36-41-22(3)38)17-18-42-32-12-8-7-11-28(32)35;1-4-36-31-16-14-24(33(38)27-13-9-8-10-22(27)2)20-28(31)29-21-25(15-17-32(29)36)34(39)30(35-40-23(3)37)18-19-41-26-11-6-5-7-12-26;2*1-2/h5-19,22-23H,4,20-21H2,1-3H3;5-16,19-20H,4,17-18H2,1-3H3,(H,41,42);6-17,20-21H,5,18-19H2,1-4H3;6-17,20-21H,5,18-19H2,1-4H3;5-16,19-20H,4,17-18H2,1-3H3;5-17,20-21H,4,18-19H2,1-3H3;2*1-2H3/b39-33+;2*36-29+;36-30+;36-29+;35-30+;;
InChIKeyQONJKYVOYSZAHP-SOXGACDVSA-N
MW3608.85 g/mol
LogP49.70
Rot. Bonds62

About 2-[(3E)-3-acetyloxyimino-4-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-oxobutyl]sulfanylbenzoic acid;[(E)-[4-(2-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;ethane;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(2-methoxyphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(2-methylphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-naphthalen-1-ylsulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylbutan-2-ylidene]amino] acetate

2-[(3E)-3-acetyloxyimino-4-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-oxobutyl]sulfanylbenzoic acid;[(E)-[4-(2-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;ethane;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(2-methoxyphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(2-methylphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-naphthalen-1-ylsulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylbutan-2-ylidene]amino] acetate (PubChem CID 172986530) has the molecular formula C215H197ClN12O27S6 and a molecular weight of 3608.85 g/mol. Its IUPAC name is 2-[(3E)-3-acetyloxyimino-4-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-oxobutyl]sulfanylbenzoic acid;[(E)-[4-(2-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;ethane;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(2-methoxyphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(2-methylphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-naphthalen-1-ylsulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylbutan-2-ylidene]amino] acetate.

Molecular Properties

Compound Name2-[(3E)-3-acetyloxyimino-4-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-oxobutyl]sulfanylbenzoic acid;[(E)-[4-(2-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;ethane;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(2-methoxyphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(2-methylphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-naphthalen-1-ylsulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylbutan-2-ylidene]amino] acetate
PubChem CID172986530
Molecular FormulaC215H197ClN12O27S6
Molecular Weight3608.85 g/mol
Exact Mass3605.24
IUPAC Name2-[(3E)-3-acetyloxyimino-4-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-oxobutyl]sulfanylbenzoic acid;[(E)-[4-(2-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;ethane;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(2-methoxyphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(2-methylphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-naphthalen-1-ylsulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylbutan-2-ylidene]amino] acetate
SMILESCC.CC.CCn1c2ccc(C(=O)/C(CCSc3cccc4ccccc34)=N/OC(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21.CCn1c2ccc(C(=O)/C(CCSc3ccccc3)=N/OC(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21.CCn1c2ccc(C(=O)/C(CCSc3ccccc3C(=O)O)=N/OC(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21.CCn1c2ccc(C(=O)/C(CCSc3ccccc3C)=N/OC(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21.CCn1c2ccc(C(=O)/C(CCSc3ccccc3Cl)=N/OC(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21.CCn1c2ccc(C(=O)/C(CCSc3ccccc3OC)=N/OC(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21
InChIInChI=1S/C38H32N2O4S.C35H30N2O6S.C35H32N2O5S.C35H32N2O4S.C34H29ClN2O4S.C34H30N2O4S.2C2H6/c1-4-40-34-18-16-27(37(42)29-13-7-5-10-24(29)2)22-31(34)32-23-28(17-19-35(32)40)38(43)33(39-44-25(3)41)20-21-45-36-15-9-12-26-11-6-8-14-30(26)36;1-4-37-30-15-13-23(33(39)25-10-6-5-9-21(25)2)19-27(30)28-20-24(14-16-31(28)37)34(40)29(36-43-22(3)38)17-18-44-32-12-8-7-11-26(32)35(41)42;1-5-37-30-16-14-24(34(39)26-11-7-6-10-22(26)2)20-27(30)28-21-25(15-17-31(28)37)35(40)29(36-42-23(3)38)18-19-43-33-13-9-8-12-32(33)41-4;1-5-37-31-16-14-25(34(39)27-12-8-6-10-22(27)2)20-28(31)29-21-26(15-17-32(29)37)35(40)30(36-41-24(4)38)18-19-42-33-13-9-7-11-23(33)3;1-4-37-30-15-13-23(33(39)25-10-6-5-9-21(25)2)19-26(30)27-20-24(14-16-31(27)37)34(40)29(36-41-22(3)38)17-18-42-32-12-8-7-11-28(32)35;1-4-36-31-16-14-24(33(38)27-13-9-8-10-22(27)2)20-28(31)29-21-25(15-17-32(29)36)34(39)30(35-40-23(3)37)18-19-41-26-11-6-5-7-12-26;2*1-2/h5-19,22-23H,4,20-21H2,1-3H3;5-16,19-20H,4,17-18H2,1-3H3,(H,41,42);6-17,20-21H,5,18-19H2,1-4H3;6-17,20-21H,5,18-19H2,1-4H3;5-16,19-20H,4,17-18H2,1-3H3;5-17,20-21H,4,18-19H2,1-3H3;2*1-2H3/b39-33+;2*36-29+;36-30+;36-29+;35-30+;;
InChIKeyQONJKYVOYSZAHP-SOXGACDVSA-N
XLogP49.70
TPSA512.91 Ų
H-Bond Donors1
H-Bond Acceptors44
Rotatable Bonds62
Heavy Atoms261
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003608.85
LogP ≤ 549.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(3E)-3-acetyloxyimino-4-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-oxobutyl]sulfanylbenzoic acid;[(E)-[4-(2-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;ethane;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(2-methoxyphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(2-methylphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-naphthalen-1-ylsulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylbutan-2-ylidene]amino] acetate with MolForge

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Launch Full Analysis

Related Compounds

[[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(4-methylphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate
CID 76562821
[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxopentan-2-ylidene]amino] acetate;[(E)-[4-(2,6-dimethylphenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(4-methylphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;bis([(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylbutan-2-ylidene]amino] acetate);[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylpentan-2-ylidene]amino] acetate
CID 172948668
[[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] 2,2,2-trifluoroacetate
CID 76562841
[(E)-[1-[9-ethyl-6-(2-iodobenzoyl)carbazol-3-yl]-4-(4-methylphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate
CID 143968806
[[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] acetate
CID 123819915
[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] (2E)-2-ethenylpenta-2,4-dienoate
CID 89134486
[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-hydroxybutan-2-ylidene]amino] acetate
CID 138510789
[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-chlorophenyl)sulfanylbutylidene]amino] acetate;[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-bromophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(Z)-[3-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxopropan-2-ylidene]amino] acetate
CID 172923587
[(E)-[4-cyclohexa-2,4-dien-1-ylsulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate
CID 58527849
[[4-(4-bromophenyl)sulfanyl-1-[9-ethyl-6-(4-phenylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate
CID 76562867
ethane;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate
CID 144561442
[(E)-[1-[6-[(2E)-2-acetyloxyimino-4-(4-chlorophenyl)sulfanylbutanoyl]-9-ethylcarbazol-3-yl]-4-(4-aminophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate
CID 89340244

Frequently Asked Questions

What is the IUPAC name of 2-[(3E)-3-acetyloxyimino-4-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-oxobutyl]sulfanylbenzoic acid;[(E)-[4-(2-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;ethane;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(2-methoxyphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(2-methylphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-naphthalen-1-ylsulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylbutan-2-ylidene]amino] acetate?
The IUPAC name of 2-[(3E)-3-acetyloxyimino-4-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-oxobutyl]sulfanylbenzoic acid;[(E)-[4-(2-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;ethane;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(2-methoxyphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(2-methylphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-naphthalen-1-ylsulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylbutan-2-ylidene]amino] acetate (CID 172986530) is 2-[(3E)-3-acetyloxyimino-4-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-oxobutyl]sulfanylbenzoic acid;[(E)-[4-(2-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;ethane;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(2-methoxyphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(2-methylphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-naphthalen-1-ylsulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylbutan-2-ylidene]amino] acetate.
What is the SMILES notation for 2-[(3E)-3-acetyloxyimino-4-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-oxobutyl]sulfanylbenzoic acid;[(E)-[4-(2-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;ethane;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(2-methoxyphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(2-methylphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-naphthalen-1-ylsulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylbutan-2-ylidene]amino] acetate?
The canonical SMILES for 2-[(3E)-3-acetyloxyimino-4-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-oxobutyl]sulfanylbenzoic acid;[(E)-[4-(2-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;ethane;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(2-methoxyphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(2-methylphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-naphthalen-1-ylsulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylbutan-2-ylidene]amino] acetate is CC.CC.CCn1c2ccc(C(=O)/C(CCSc3cccc4ccccc34)=N/OC(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21.CCn1c2ccc(C(=O)/C(CCSc3ccccc3)=N/OC(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21.CCn1c2ccc(C(=O)/C(CCSc3ccccc3C(=O)O)=N/OC(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21.CCn1c2ccc(C(=O)/C(CCSc3ccccc3C)=N/OC(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21.CCn1c2ccc(C(=O)/C(CCSc3ccccc3Cl)=N/OC(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21.CCn1c2ccc(C(=O)/C(CCSc3ccccc3OC)=N/OC(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21.
What is the InChIKey of 2-[(3E)-3-acetyloxyimino-4-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-oxobutyl]sulfanylbenzoic acid;[(E)-[4-(2-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;ethane;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(2-methoxyphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(2-methylphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-naphthalen-1-ylsulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylbutan-2-ylidene]amino] acetate?
The InChIKey is QONJKYVOYSZAHP-SOXGACDVSA-N. The full InChI is InChI=1S/C38H32N2O4S.C35H30N2O6S.C35H32N2O5S.C35H32N2O4S.C34H29ClN2O4S.C34H30N2O4S.2C2H6/c1-4-40-34-18-16-27(37(42)29-13-7-5-10-24(29)2)22-31(34)32-23-28(17-19-35(32)40)38(43)33(39-44-25(3)41)20-21-45-36-15-9-12-26-11-6-8-14-30(26)36;1-4-37-30-15-13-23(33(39)25-10-6-5-9-21(25)2)19-27(30)28-20-24(14-16-31(28)37)34(40)29(36-43-22(3)38)17-18-44-32-12-8-7-11-26(32)35(41)42;1-5-37-30-16-14-24(34(39)26-11-7-6-10-22(26)2)20-27(30)28-21-25(15-17-31(28)37)35(40)29(36-42-23(3)38)18-19-43-33-13-9-8-12-32(33)41-4;1-5-37-31-16-14-25(34(39)27-12-8-6-10-22(27)2)20-28(31)29-21-26(15-17-32(29)37)35(40)30(36-41-24(4)38)18-19-42-33-13-9-7-11-23(33)3;1-4-37-30-15-13-23(33(39)25-10-6-5-9-21(25)2)19-26(30)27-20-24(14-16-31(27)37)34(40)29(36-41-22(3)38)17-18-42-32-12-8-7-11-28(32)35;1-4-36-31-16-14-24(33(38)27-13-9-8-10-22(27)2)20-28(31)29-21-25(15-17-32(29)36)34(39)30(35-40-23(3)37)18-19-41-26-11-6-5-7-12-26;2*1-2/h5-19,22-23H,4,20-21H2,1-3H3;5-16,19-20H,4,17-18H2,1-3H3,(H,41,42);6-17,20-21H,5,18-19H2,1-4H3;6-17,20-21H,5,18-19H2,1-4H3;5-16,19-20H,4,17-18H2,1-3H3;5-17,20-21H,4,18-19H2,1-3H3;2*1-2H3/b39-33+;2*36-29+;36-30+;36-29+;35-30+;;.
What are the key properties of 2-[(3E)-3-acetyloxyimino-4-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-oxobutyl]sulfanylbenzoic acid;[(E)-[4-(2-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;ethane;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(2-methoxyphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(2-methylphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-naphthalen-1-ylsulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylbutan-2-ylidene]amino] acetate?
2-[(3E)-3-acetyloxyimino-4-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-oxobutyl]sulfanylbenzoic acid;[(E)-[4-(2-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;ethane;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(2-methoxyphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(2-methylphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-naphthalen-1-ylsulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylbutan-2-ylidene]amino] acetate has a molecular weight of 3608.85 g/mol, XLogP of 49.70, 62 rotatable bonds, 1 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E)-3-acetyloxyimino-4-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-oxobutyl]sulfanylbenzoic acid;[(E)-[4-(2-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;ethane;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(2-methoxyphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(2-methylphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-naphthalen-1-ylsulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylbutan-2-ylidene]amino] acetate is sourced from PubChem (CID 172986530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).