2-[[2-[(Z)-2-(1,3-benzothiazol-2-yl)-2-isocyanoethenyl]-4,4-dimethylindeno[1,2-b]thiophen-6-yl]-methylamino]ethyl N-[[4-[(4-aminopyrimidin-2-yl)oxymethyl]phenyl]methyl]carbamate;tert-butyl (Z)-3-[6-[2-[[4-[(2-amino-6-chloropyrimidin-4-yl)oxymethyl]phenyl]methylcarbamoyloxy]ethyl-methylamino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]-2-isocyanoprop-2-enoate;tert-butyl (Z)-3-[6-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methylcarbamoyloxy]ethyl-methylamino]-4,4-dimethylindeno[1,2-b]furan-2-yl]-2-isocyanoprop-2-enoate;tert-butyl (Z)-3-[6-[2-[[4-[(4-aminopyrimidin-2-yl)oxymethyl]phenyl]methylcarbamoyloxy]ethyl-methylamino]-4,4-dimethylindeno[1,2-b]furan-2-yl]-2-isocyanoprop-2-enoate

C151H154ClN27O20S3 — CID 163602864

About 2-[[2-[(Z)-2-(1,3-benzothiazol-2-yl)-2-isocyanoethenyl]-4,4-dimethylindeno[1,2-b]thiophen-6-yl]-methylamino]ethyl N-[[4-[(4-aminopyrimidin-2-yl)oxymethyl]phenyl]methyl]carbamate;tert-butyl (Z)-3-[6-[2-[[4-[(2-amino-6-chloropyrimidin-4-yl)oxymethyl]phenyl]methylcarbamoyloxy]ethyl-methylamino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]-2-isocyanoprop-2-enoate;tert-butyl (Z)-3-[6-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methylcarbamoyloxy]ethyl-methylamino]-4,4-dimethylindeno[1,2-b]furan-2-yl]-2-isocyanoprop-2-enoate;tert-butyl (Z)-3-[6-[2-[[4-[(4-aminopyrimidin-2-yl)oxymethyl]phenyl]methylcarbamoyloxy]ethyl-methylamino]-4,4-dimethylindeno[1,2-b]furan-2-yl]-2-isocyanoprop-2-enoate

2-[[2-[(Z)-2-(1,3-benzothiazol-2-yl)-2-isocyanoethenyl]-4,4-dimethylindeno[1,2-b]thiophen-6-yl]-methylamino]ethyl N-[[4-[(4-aminopyrimidin-2-yl)oxymethyl]phenyl]methyl]carbamate;tert-butyl (Z)-3-[6-[2-[[4-[(2-amino-6-chloropyrimidin-4-yl)oxymethyl]phenyl]methylcarbamoyloxy]ethyl-methylamino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]-2-isocyanoprop-2-enoate;tert-butyl (Z)-3-[6-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methylcarbamoyloxy]ethyl-methylamino]-4,4-dimethylindeno[1,2-b]furan-2-yl]-2-isocyanoprop-2-enoate;tert-butyl (Z)-3-[6-[2-[[4-[(4-aminopyrimidin-2-yl)oxymethyl]phenyl]methylcarbamoyloxy]ethyl-methylamino]-4,4-dimethylindeno[1,2-b]furan-2-yl]-2-isocyanoprop-2-enoate (PubChem CID 163602864) has the molecular formula C151H154ClN27O20S3 and a molecular weight of 2798.72 g/mol. Its IUPAC name is 2-[[2-[(Z)-2-(1,3-benzothiazol-2-yl)-2-isocyanoethenyl]-4,4-dimethylindeno[1,2-b]thiophen-6-yl]-methylamino]ethyl N-[[4-[(4-aminopyrimidin-2-yl)oxymethyl]phenyl]methyl]carbamate;tert-butyl (Z)-3-[6-[2-[[4-[(2-amino-6-chloropyrimidin-4-yl)oxymethyl]phenyl]methylcarbamoyloxy]ethyl-methylamino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]-2-isocyanoprop-2-enoate;tert-butyl (Z)-3-[6-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methylcarbamoyloxy]ethyl-methylamino]-4,4-dimethylindeno[1,2-b]furan-2-yl]-2-isocyanoprop-2-enoate;tert-butyl (Z)-3-[6-[2-[[4-[(4-aminopyrimidin-2-yl)oxymethyl]phenyl]methylcarbamoyloxy]ethyl-methylamino]-4,4-dimethylindeno[1,2-b]furan-2-yl]-2-isocyanoprop-2-enoate.

Molecular Properties

• Compound Name: 2-[[2-[(Z)-2-(1,3-benzothiazol-2-yl)-2-isocyanoethenyl]-4,4-dimethylindeno[1,2-b]thiophen-6-yl]-methylamino]ethyl N-[[4-[(4-aminopyrimidin-2-yl)oxymethyl]phenyl]methyl]carbamate;tert-butyl (Z)-3-[6-[2-[[4-[(2-amino-6-chloropyrimidin-4-yl)oxymethyl]phenyl]methylcarbamoyloxy]ethyl-methylamino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]-2-isocyanoprop-2-enoate;tert-butyl (Z)-3-[6-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methylcarbamoyloxy]ethyl-methylamino]-4,4-dimethylindeno[1,2-b]furan-2-yl]-2-isocyanoprop-2-enoate;tert-butyl (Z)-3-[6-[2-[[4-[(4-aminopyrimidin-2-yl)oxymethyl]phenyl]methylcarbamoyloxy]ethyl-methylamino]-4,4-dimethylindeno[1,2-b]furan-2-yl]-2-isocyanoprop-2-enoate
• PubChem CID: 163602864
• Molecular Formula: C151H154ClN27O20S3
• Molecular Weight: 2798.72 g/mol
• Exact Mass: 2796.07
• IUPAC Name: 2-[[2-[(Z)-2-(1,3-benzothiazol-2-yl)-2-isocyanoethenyl]-4,4-dimethylindeno[1,2-b]thiophen-6-yl]-methylamino]ethyl N-[[4-[(4-aminopyrimidin-2-yl)oxymethyl]phenyl]methyl]carbamate;tert-butyl (Z)-3-[6-[2-[[4-[(2-amino-6-chloropyrimidin-4-yl)oxymethyl]phenyl]methylcarbamoyloxy]ethyl-methylamino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]-2-isocyanoprop-2-enoate;tert-butyl (Z)-3-[6-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methylcarbamoyloxy]ethyl-methylamino]-4,4-dimethylindeno[1,2-b]furan-2-yl]-2-isocyanoprop-2-enoate;tert-butyl (Z)-3-[6-[2-[[4-[(4-aminopyrimidin-2-yl)oxymethyl]phenyl]methylcarbamoyloxy]ethyl-methylamino]-4,4-dimethylindeno[1,2-b]furan-2-yl]-2-isocyanoprop-2-enoate
• SMILES: [C-]#[N+]/C(=C\c1cc2c(o1)-c1ccc(N(C)CCOC(=O)NCc3ccc(COc4nc(N)nc5nc[nH]c45)cc3)cc1C2(C)C)C(=O)OC(C)(C)C.[C-]#[N+]/C(=C\c1cc2c(o1)-c1ccc(N(C)CCOC(=O)NCc3ccc(COc4nccc(N)n4)cc3)cc1C2(C)C)C(=O)OC(C)(C)C.[C-]#[N+]/C(=C\c1cc2c(s1)-c1ccc(N(C)CCOC(=O)NCc3ccc(COc4cc(Cl)nc(N)n4)cc3)cc1C2(C)C)C(=O)OC(C)(C)C.[C-]#[N+]/C(=C\c1cc2c(s1)-c1ccc(N(C)CCOC(=O)NCc3ccc(COc4nccc(N)n4)cc3)cc1C2(C)C)c1nc2ccccc2s1
• InChI: InChI=1S/C39H35N7O3S2.C38H40N8O6.C37H39ClN6O5S.C37H40N6O6/c1-39(2)29-19-26(13-14-28(29)35-30(39)20-27(50-35)21-32(41-3)36-44-31-7-5-6-8-33(31)51-36)46(4)17-18-48-38(47)43-22-24-9-11-25(12-10-24)23-49-37-42-16-15-34(40)45-37;1-37(2,3)52-34(47)29(40-6)18-25-17-28-31(51-25)26-13-12-24(16-27(26)38(28,4)5)46(7)14-15-49-36(48)41-19-22-8-10-23(11-9-22)20-50-33-30-32(43-21-42-30)44-35(39)45-33;1-36(2,3)49-33(45)29(40-6)18-25-17-28-32(50-25)26-13-12-24(16-27(26)37(28,4)5)44(7)14-15-47-35(46)41-20-22-8-10-23(11-9-22)21-48-31-19-30(38)42-34(39)43-31;1-36(2,3)49-33(44)30(39-6)20-26-19-29-32(48-26)27-13-12-25(18-28(27)37(29,4)5)43(7)16-17-46-35(45)41-21-23-8-10-24(11-9-23)22-47-34-40-15-14-31(38)42-34/h5-16,19-21H,17-18,22-23H2,1-2,4H3,(H,43,47)(H2,40,42,45);8-13,16-18,21H,14-15,19-20H2,1-5,7H3,(H,41,48)(H3,39,42,43,44,45);8-13,16-19H,14-15,20-21H2,1-5,7H3,(H,41,46)(H2,39,42,43);8-15,18-20H,16-17,21-22H2,1-5,7H3,(H,41,45)(H2,38,40,42)/b32-21-;2*29-18-;30-20-
• InChIKey: GZEILNGZPGDCTC-LUMWDUBSSA-N
• XLogP: 28.90
• TPSA: 574.59 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 41
• Rotatable Bonds: 44
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2798.72
LogP ≤ 5	28.90
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(Z)-2-(1,3-benzothiazol-2-yl)-2-isocyanoethenyl]-4,4-dimethylindeno[1,2-b]thiophen-6-yl]-methylamino]ethyl N-[[4-[(4-aminopyrimidin-2-yl)oxymethyl]phenyl]methyl]carbamate;tert-butyl (Z)-3-[6-[2-[[4-[(2-amino-6-chloropyrimidin-4-yl)oxymethyl]phenyl]methylcarbamoyloxy]ethyl-methylamino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]-2-isocyanoprop-2-enoate;tert-butyl (Z)-3-[6-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methylcarbamoyloxy]ethyl-methylamino]-4,4-dimethylindeno[1,2-b]furan-2-yl]-2-isocyanoprop-2-enoate;tert-butyl (Z)-3-[6-[2-[[4-[(4-aminopyrimidin-2-yl)oxymethyl]phenyl]methylcarbamoyloxy]ethyl-methylamino]-4,4-dimethylindeno[1,2-b]furan-2-yl]-2-isocyanoprop-2-enoate?

The IUPAC name of 2-[[2-[(Z)-2-(1,3-benzothiazol-2-yl)-2-isocyanoethenyl]-4,4-dimethylindeno[1,2-b]thiophen-6-yl]-methylamino]ethyl N-[[4-[(4-aminopyrimidin-2-yl)oxymethyl]phenyl]methyl]carbamate;tert-butyl (Z)-3-[6-[2-[[4-[(2-amino-6-chloropyrimidin-4-yl)oxymethyl]phenyl]methylcarbamoyloxy]ethyl-methylamino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]-2-isocyanoprop-2-enoate;tert-butyl (Z)-3-[6-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methylcarbamoyloxy]ethyl-methylamino]-4,4-dimethylindeno[1,2-b]furan-2-yl]-2-isocyanoprop-2-enoate;tert-butyl (Z)-3-[6-[2-[[4-[(4-aminopyrimidin-2-yl)oxymethyl]phenyl]methylcarbamoyloxy]ethyl-methylamino]-4,4-dimethylindeno[1,2-b]furan-2-yl]-2-isocyanoprop-2-enoate (CID 163602864) is 2-[[2-[(Z)-2-(1,3-benzothiazol-2-yl)-2-isocyanoethenyl]-4,4-dimethylindeno[1,2-b]thiophen-6-yl]-methylamino]ethyl N-[[4-[(4-aminopyrimidin-2-yl)oxymethyl]phenyl]methyl]carbamate;tert-butyl (Z)-3-[6-[2-[[4-[(2-amino-6-chloropyrimidin-4-yl)oxymethyl]phenyl]methylcarbamoyloxy]ethyl-methylamino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]-2-isocyanoprop-2-enoate;tert-butyl (Z)-3-[6-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methylcarbamoyloxy]ethyl-methylamino]-4,4-dimethylindeno[1,2-b]furan-2-yl]-2-isocyanoprop-2-enoate;tert-butyl (Z)-3-[6-[2-[[4-[(4-aminopyrimidin-2-yl)oxymethyl]phenyl]methylcarbamoyloxy]ethyl-methylamino]-4,4-dimethylindeno[1,2-b]furan-2-yl]-2-isocyanoprop-2-enoate.

What is the SMILES notation for 2-[[2-[(Z)-2-(1,3-benzothiazol-2-yl)-2-isocyanoethenyl]-4,4-dimethylindeno[1,2-b]thiophen-6-yl]-methylamino]ethyl N-[[4-[(4-aminopyrimidin-2-yl)oxymethyl]phenyl]methyl]carbamate;tert-butyl (Z)-3-[6-[2-[[4-[(2-amino-6-chloropyrimidin-4-yl)oxymethyl]phenyl]methylcarbamoyloxy]ethyl-methylamino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]-2-isocyanoprop-2-enoate;tert-butyl (Z)-3-[6-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methylcarbamoyloxy]ethyl-methylamino]-4,4-dimethylindeno[1,2-b]furan-2-yl]-2-isocyanoprop-2-enoate;tert-butyl (Z)-3-[6-[2-[[4-[(4-aminopyrimidin-2-yl)oxymethyl]phenyl]methylcarbamoyloxy]ethyl-methylamino]-4,4-dimethylindeno[1,2-b]furan-2-yl]-2-isocyanoprop-2-enoate?

The canonical SMILES for 2-[[2-[(Z)-2-(1,3-benzothiazol-2-yl)-2-isocyanoethenyl]-4,4-dimethylindeno[1,2-b]thiophen-6-yl]-methylamino]ethyl N-[[4-[(4-aminopyrimidin-2-yl)oxymethyl]phenyl]methyl]carbamate;tert-butyl (Z)-3-[6-[2-[[4-[(2-amino-6-chloropyrimidin-4-yl)oxymethyl]phenyl]methylcarbamoyloxy]ethyl-methylamino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]-2-isocyanoprop-2-enoate;tert-butyl (Z)-3-[6-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methylcarbamoyloxy]ethyl-methylamino]-4,4-dimethylindeno[1,2-b]furan-2-yl]-2-isocyanoprop-2-enoate;tert-butyl (Z)-3-[6-[2-[[4-[(4-aminopyrimidin-2-yl)oxymethyl]phenyl]methylcarbamoyloxy]ethyl-methylamino]-4,4-dimethylindeno[1,2-b]furan-2-yl]-2-isocyanoprop-2-enoate is [C-]#[N+]/C(=C\c1cc2c(o1)-c1ccc(N(C)CCOC(=O)NCc3ccc(COc4nc(N)nc5nc[nH]c45)cc3)cc1C2(C)C)C(=O)OC(C)(C)C.[C-]#[N+]/C(=C\c1cc2c(o1)-c1ccc(N(C)CCOC(=O)NCc3ccc(COc4nccc(N)n4)cc3)cc1C2(C)C)C(=O)OC(C)(C)C.[C-]#[N+]/C(=C\c1cc2c(s1)-c1ccc(N(C)CCOC(=O)NCc3ccc(COc4cc(Cl)nc(N)n4)cc3)cc1C2(C)C)C(=O)OC(C)(C)C.[C-]#[N+]/C(=C\c1cc2c(s1)-c1ccc(N(C)CCOC(=O)NCc3ccc(COc4nccc(N)n4)cc3)cc1C2(C)C)c1nc2ccccc2s1.

What is the InChIKey of 2-[[2-[(Z)-2-(1,3-benzothiazol-2-yl)-2-isocyanoethenyl]-4,4-dimethylindeno[1,2-b]thiophen-6-yl]-methylamino]ethyl N-[[4-[(4-aminopyrimidin-2-yl)oxymethyl]phenyl]methyl]carbamate;tert-butyl (Z)-3-[6-[2-[[4-[(2-amino-6-chloropyrimidin-4-yl)oxymethyl]phenyl]methylcarbamoyloxy]ethyl-methylamino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]-2-isocyanoprop-2-enoate;tert-butyl (Z)-3-[6-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methylcarbamoyloxy]ethyl-methylamino]-4,4-dimethylindeno[1,2-b]furan-2-yl]-2-isocyanoprop-2-enoate;tert-butyl (Z)-3-[6-[2-[[4-[(4-aminopyrimidin-2-yl)oxymethyl]phenyl]methylcarbamoyloxy]ethyl-methylamino]-4,4-dimethylindeno[1,2-b]furan-2-yl]-2-isocyanoprop-2-enoate?

The InChIKey is GZEILNGZPGDCTC-LUMWDUBSSA-N. The full InChI is InChI=1S/C39H35N7O3S2.C38H40N8O6.C37H39ClN6O5S.C37H40N6O6/c1-39(2)29-19-26(13-14-28(29)35-30(39)20-27(50-35)21-32(41-3)36-44-31-7-5-6-8-33(31)51-36)46(4)17-18-48-38(47)43-22-24-9-11-25(12-10-24)23-49-37-42-16-15-34(40)45-37;1-37(2,3)52-34(47)29(40-6)18-25-17-28-31(51-25)26-13-12-24(16-27(26)38(28,4)5)46(7)14-15-49-36(48)41-19-22-8-10-23(11-9-22)20-50-33-30-32(43-21-42-30)44-35(39)45-33;1-36(2,3)49-33(45)29(40-6)18-25-17-28-32(50-25)26-13-12-24(16-27(26)37(28,4)5)44(7)14-15-47-35(46)41-20-22-8-10-23(11-9-22)21-48-31-19-30(38)42-34(39)43-31;1-36(2,3)49-33(44)30(39-6)20-26-19-29-32(48-26)27-13-12-25(18-28(27)37(29,4)5)43(7)16-17-46-35(45)41-21-23-8-10-24(11-9-23)22-47-34-40-15-14-31(38)42-34/h5-16,19-21H,17-18,22-23H2,1-2,4H3,(H,43,47)(H2,40,42,45);8-13,16-18,21H,14-15,19-20H2,1-5,7H3,(H,41,48)(H3,39,42,43,44,45);8-13,16-19H,14-15,20-21H2,1-5,7H3,(H,41,46)(H2,39,42,43);8-15,18-20H,16-17,21-22H2,1-5,7H3,(H,41,45)(H2,38,40,42)/b32-21-;2*29-18-;30-20-.

What are the key properties of 2-[[2-[(Z)-2-(1,3-benzothiazol-2-yl)-2-isocyanoethenyl]-4,4-dimethylindeno[1,2-b]thiophen-6-yl]-methylamino]ethyl N-[[4-[(4-aminopyrimidin-2-yl)oxymethyl]phenyl]methyl]carbamate;tert-butyl (Z)-3-[6-[2-[[4-[(2-amino-6-chloropyrimidin-4-yl)oxymethyl]phenyl]methylcarbamoyloxy]ethyl-methylamino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]-2-isocyanoprop-2-enoate;tert-butyl (Z)-3-[6-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methylcarbamoyloxy]ethyl-methylamino]-4,4-dimethylindeno[1,2-b]furan-2-yl]-2-isocyanoprop-2-enoate;tert-butyl (Z)-3-[6-[2-[[4-[(4-aminopyrimidin-2-yl)oxymethyl]phenyl]methylcarbamoyloxy]ethyl-methylamino]-4,4-dimethylindeno[1,2-b]furan-2-yl]-2-isocyanoprop-2-enoate?

2-[[2-[(Z)-2-(1,3-benzothiazol-2-yl)-2-isocyanoethenyl]-4,4-dimethylindeno[1,2-b]thiophen-6-yl]-methylamino]ethyl N-[[4-[(4-aminopyrimidin-2-yl)oxymethyl]phenyl]methyl]carbamate;tert-butyl (Z)-3-[6-[2-[[4-[(2-amino-6-chloropyrimidin-4-yl)oxymethyl]phenyl]methylcarbamoyloxy]ethyl-methylamino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]-2-isocyanoprop-2-enoate;tert-butyl (Z)-3-[6-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methylcarbamoyloxy]ethyl-methylamino]-4,4-dimethylindeno[1,2-b]furan-2-yl]-2-isocyanoprop-2-enoate;tert-butyl (Z)-3-[6-[2-[[4-[(4-aminopyrimidin-2-yl)oxymethyl]phenyl]methylcarbamoyloxy]ethyl-methylamino]-4,4-dimethylindeno[1,2-b]furan-2-yl]-2-isocyanoprop-2-enoate has a molecular weight of 2798.72 g/mol, XLogP of 28.90, 44 rotatable bonds, 9 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[(Z)-2-(1,3-benzothiazol-2-yl)-2-isocyanoethenyl]-4,4-dimethylindeno[1,2-b]thiophen-6-yl]-methylamino]ethyl N-[[4-[(4-aminopyrimidin-2-yl)oxymethyl]phenyl]methyl]carbamate;tert-butyl (Z)-3-[6-[2-[[4-[(2-amino-6-chloropyrimidin-4-yl)oxymethyl]phenyl]methylcarbamoyloxy]ethyl-methylamino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]-2-isocyanoprop-2-enoate;tert-butyl (Z)-3-[6-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methylcarbamoyloxy]ethyl-methylamino]-4,4-dimethylindeno[1,2-b]furan-2-yl]-2-isocyanoprop-2-enoate;tert-butyl (Z)-3-[6-[2-[[4-[(4-aminopyrimidin-2-yl)oxymethyl]phenyl]methylcarbamoyloxy]ethyl-methylamino]-4,4-dimethylindeno[1,2-b]furan-2-yl]-2-isocyanoprop-2-enoate is sourced from PubChem (CID 163602864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).