ethyl 2-[(4-chlorophenyl)-methylsulfanyl-methyl]-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-quinoline-3-carboxylate

Systemtic Name: ethyl 2-[(4-chlorophenyl)-methylsulfanyl-methyl]-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-quinoline-3-carboxylate Openeye Name: ethyl 2-[(4-chlorophenyl)-methylsulfanyl-methyl]-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-quinoline-3-carboxylate CAS Name: 2-[(4-chlorophenyl)-(methylthio)methyl]-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-chlorophenyl)-methylsulfanylmethyl]-4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinoline-3-carboxylate Traditional Name: 2-[(4-chlorophenyl)-(methylthio)methyl]-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-quinoline-3-carboxylic acid ethyl ester Formula: C30H30ClNO6S MolecularWeight: 568.0803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=C(C=C2N=C1C(C3=CC=C(C=C3)Cl)SC)OC)OC)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=C(C=C2N=C1C(C3=CC=C(C=C3)Cl)SC)OC)OC)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C30H30ClNO6S/c1-7-38-30(33)27-26(18-10-13-22(34-2)23(14-18)35-3)20-15-24(36-4)25(37-5)16-21(20)32-28(27)29(39-6)17-8-11-19(31)12-9-17/h8-16,29H,7H2,1-6H3