ethyl (5Z)-4-hydroxy-2-(4-methoxyphenyl)imino-5-[(3,4,5-trimethoxyphenyl)methylidene]thiophene-3-carboxylate

C24H25NO7S — CID 135418595

IUPACethyl (5Z)-4-hydroxy-2-(4-methoxyphenyl)imino-5-[(3,4,5-trimethoxyphenyl)methylidene]thiophene-3-carboxylate
SMILESCCOC(=O)C1=C(O)/C(=C/c2cc(OC)c(OC)c(OC)c2)S/C1=N\c1ccc(OC)cc1
InChIInChI=1S/C24H25NO7S/c1-6-32-24(27)20-21(26)19(33-23(20)25-15-7-9-16(28-2)10-8-15)13-14-11-17(29-3)22(31-5)18(12-14)30-4/h7-13,26H,6H2,1-5H3/b19-13-,25-23-
InChIKeyOSVDHTTTWIWYFS-UNOWLLLOSA-N
MW471.53 g/mol
LogP4.91
Rot. Bonds8

About ethyl (5Z)-4-hydroxy-2-(4-methoxyphenyl)imino-5-[(3,4,5-trimethoxyphenyl)methylidene]thiophene-3-carboxylate

ethyl (5Z)-4-hydroxy-2-(4-methoxyphenyl)imino-5-[(3,4,5-trimethoxyphenyl)methylidene]thiophene-3-carboxylate (PubChem CID 135418595) has the molecular formula C24H25NO7S and a molecular weight of 471.53 g/mol. Its IUPAC name is ethyl (5Z)-4-hydroxy-2-(4-methoxyphenyl)imino-5-[(3,4,5-trimethoxyphenyl)methylidene]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl (5Z)-4-hydroxy-2-(4-methoxyphenyl)imino-5-[(3,4,5-trimethoxyphenyl)methylidene]thiophene-3-carboxylate
PubChem CID135418595
Molecular FormulaC24H25NO7S
Molecular Weight471.53 g/mol
Exact Mass471.14
IUPAC Nameethyl (5Z)-4-hydroxy-2-(4-methoxyphenyl)imino-5-[(3,4,5-trimethoxyphenyl)methylidene]thiophene-3-carboxylate
SMILESCCOC(=O)C1=C(O)/C(=C/c2cc(OC)c(OC)c(OC)c2)S/C1=N\c1ccc(OC)cc1
InChIInChI=1S/C24H25NO7S/c1-6-32-24(27)20-21(26)19(33-23(20)25-15-7-9-16(28-2)10-8-15)13-14-11-17(29-3)22(31-5)18(12-14)30-4/h7-13,26H,6H2,1-5H3/b19-13-,25-23-
InChIKeyOSVDHTTTWIWYFS-UNOWLLLOSA-N
XLogP4.91
TPSA95.81 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.53
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze ethyl (5Z)-4-hydroxy-2-(4-methoxyphenyl)imino-5-[(3,4,5-trimethoxyphenyl)methylidene]thiophene-3-carboxylate with MolForge

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Related Compounds

2-[4-[(Z)-[5-(4-ethoxyanilino)-4-ethoxycarbonyl-3-oxothiophen-2-ylidene]methyl]-2-methoxyphenoxy]acetic acid
CID 135401473
{4-[(4-(ethoxycarbonyl)-5-(4-methoxyanilino)-3-oxo-2(3H)-thienylidene)methyl]-2-methoxyphenoxy}acetic acid
CID 135401472
Ethyl 5-(4-hydroxy-3,5-dimethoxybenzylidene)-2-[(4-methoxyphenyl)amino]-4-oxo-4,5-dihydro-3-thiophenecarboxylate
CID 135425052
2-[4-[(E)-[4-ethoxycarbonyl-5-(4-ethoxyphenyl)imino-3-hydroxythiophen-2-ylidene]methyl]-2-methoxyphenoxy]acetic acid
CID 135801082
Ethyl 2-anilino-5-(4-hydroxy-3-methoxybenzylidene)-4-oxo-4,5-dihydro-3-thiophenecarboxylate
CID 135421458
ethyl (5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-4-hydroxy-2-phenyliminothiophene-3-carboxylate
CID 168269300
{2-ethoxy-4-[(4-(ethoxycarbonyl)-5-(4-methoxyanilino)-3-oxo-2(3H)-thienylidene)methyl]phenoxy}acetic acid
CID 135401474
(2-ethoxy-4-{[4-(ethoxycarbonyl)-5-[(4-methylphenyl)amino]-3-oxo-2(3H)-thienylidene]methyl}phenoxy)acetic acid
CID 135433290
(4-{[5-anilino-4-(ethoxycarbonyl)-3-oxo-2(3H)-thienylidene]methyl}-2-ethoxyphenoxy)acetic acid
CID 135433324
Ethyl 2-anilino-5-(3-hydroxy-4-methoxybenzylidene)-4-oxo-4,5-dihydro-3-thiophenecarboxylate
CID 135447313
ethyl (5Z)-2-(4-ethoxyanilino)-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-4-oxothiophene-3-carboxylate
CID 135494693
Ethyl 2-anilino-5-(4-methoxybenzylidene)-4-oxo-4,5-dihydro-3-thiophenecarboxylate
CID 135411423

Frequently Asked Questions

What is the IUPAC name of ethyl (5Z)-4-hydroxy-2-(4-methoxyphenyl)imino-5-[(3,4,5-trimethoxyphenyl)methylidene]thiophene-3-carboxylate?
The IUPAC name of ethyl (5Z)-4-hydroxy-2-(4-methoxyphenyl)imino-5-[(3,4,5-trimethoxyphenyl)methylidene]thiophene-3-carboxylate (CID 135418595) is ethyl (5Z)-4-hydroxy-2-(4-methoxyphenyl)imino-5-[(3,4,5-trimethoxyphenyl)methylidene]thiophene-3-carboxylate.
What is the SMILES notation for ethyl (5Z)-4-hydroxy-2-(4-methoxyphenyl)imino-5-[(3,4,5-trimethoxyphenyl)methylidene]thiophene-3-carboxylate?
The canonical SMILES for ethyl (5Z)-4-hydroxy-2-(4-methoxyphenyl)imino-5-[(3,4,5-trimethoxyphenyl)methylidene]thiophene-3-carboxylate is CCOC(=O)C1=C(O)/C(=C/c2cc(OC)c(OC)c(OC)c2)S/C1=N\c1ccc(OC)cc1.
What is the InChIKey of ethyl (5Z)-4-hydroxy-2-(4-methoxyphenyl)imino-5-[(3,4,5-trimethoxyphenyl)methylidene]thiophene-3-carboxylate?
The InChIKey is OSVDHTTTWIWYFS-UNOWLLLOSA-N. The full InChI is InChI=1S/C24H25NO7S/c1-6-32-24(27)20-21(26)19(33-23(20)25-15-7-9-16(28-2)10-8-15)13-14-11-17(29-3)22(31-5)18(12-14)30-4/h7-13,26H,6H2,1-5H3/b19-13-,25-23-.
What are the key properties of ethyl (5Z)-4-hydroxy-2-(4-methoxyphenyl)imino-5-[(3,4,5-trimethoxyphenyl)methylidene]thiophene-3-carboxylate?
ethyl (5Z)-4-hydroxy-2-(4-methoxyphenyl)imino-5-[(3,4,5-trimethoxyphenyl)methylidene]thiophene-3-carboxylate has a molecular weight of 471.53 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5Z)-4-hydroxy-2-(4-methoxyphenyl)imino-5-[(3,4,5-trimethoxyphenyl)methylidene]thiophene-3-carboxylate is sourced from PubChem (CID 135418595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).