ethyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-quinoline-3-carboxylate

Systemtic Name: ethyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-quinoline-3-carboxylate Openeye Name: ethyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-quinoline-3-carboxylate CAS Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinoline-3-carboxylate Traditional Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-quinoline-3-carboxylic acid ethyl ester Formula: C30H29N3O6S MolecularWeight: 559.63276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=C(C=C2N=C1CSC3=NC4=CC=CC=C4N3)OC)OC)C5=CC(=C(C=C5)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=C(C=C2N=C1CSC3=NC4=CC=CC=C4N3)OC)OC)C5=CC(=C(C=C5)OC)OC

InChI

InChI=1S/C30H29N3O6S/c1-6-39-29(34)28-22(16-40-30-32-19-9-7-8-10-20(19)33-30)31-21-15-26(38-5)25(37-4)14-18(21)27(28)17-11-12-23(35-2)24(13-17)36-3/h7-15H,6,16H2,1-5H3,(H,32,33)