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

Systemtic Name: ethyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-6,7-dimethoxy-4-(4-methoxyphenyl)quinoline-3-carboxylate Openeye Name: ethyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-6,7-dimethoxy-4-(4-methoxyphenyl)quinoline-3-carboxylate CAS Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-6,7-dimethoxy-4-(4-methoxyphenyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-6,7-dimethoxy-4-(4-methoxyphenyl)quinoline-3-carboxylate Traditional Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-6,7-dimethoxy-4-(4-methoxyphenyl)quinoline-3-carboxylic acid ethyl ester Formula: C29H27N3O5S MolecularWeight: 529.60678

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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

Isomeric SMILES

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

InChI

InChI=1S/C29H27N3O5S/c1-5-37-28(33)27-23(16-38-29-31-20-8-6-7-9-21(20)32-29)30-22-15-25(36-4)24(35-3)14-19(22)26(27)17-10-12-18(34-2)13-11-17/h6-15H,5,16H2,1-4H3,(H,31,32)