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

Systemtic Name: ethyl 4-(3,4-dimethoxyphenyl)-2-(1H-imidazol-2-ylsulfanylmethyl)-6,7-dimethoxy-quinoline-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethoxyphenyl)-2-(1H-imidazol-2-ylsulfanylmethyl)-6,7-dimethoxy-quinoline-3-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-2-[(1H-imidazol-2-ylthio)methyl]-6,7-dimethoxy-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethoxyphenyl)-2-(1H-imidazol-2-ylsulfanylmethyl)-6,7-dimethoxyquinoline-3-carboxylate Traditional Name: 4-(3,4-dimethoxyphenyl)-2-[(1H-imidazol-2-ylthio)methyl]-6,7-dimethoxy-quinoline-3-carboxylic acid ethyl ester Formula: C26H27N3O6S MolecularWeight: 509.57408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=C(C=C2N=C1CSC3=NC=CN3)OC)OC)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=C(C=C2N=C1CSC3=NC=CN3)OC)OC)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C26H27N3O6S/c1-6-35-25(30)24-18(14-36-26-27-9-10-28-26)29-17-13-22(34-5)21(33-4)12-16(17)23(24)15-7-8-19(31-2)20(11-15)32-3/h7-13H,6,14H2,1-5H3,(H,27,28)