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

Systemtic Name: ethyl 2-[(4-chlorophenyl)sulfanylmethyl]-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-quinoline-3-carboxylate Openeye Name: ethyl 2-[(4-chlorophenyl)sulfanylmethyl]-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-quinoline-3-carboxylate CAS Name: 2-[[(4-chlorophenyl)thio]methyl]-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-chlorophenyl)sulfanylmethyl]-4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinoline-3-carboxylate Traditional Name: 2-[[(4-chlorophenyl)thio]methyl]-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-quinoline-3-carboxylic acid ethyl ester Formula: C29H28ClNO6S MolecularWeight: 554.05372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=C(C=C2N=C1CSC3=CC=C(C=C3)Cl)OC)OC)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=C(C=C2N=C1CSC3=CC=C(C=C3)Cl)OC)OC)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C29H28ClNO6S/c1-6-37-29(32)28-22(16-38-19-10-8-18(30)9-11-19)31-21-15-26(36-5)25(35-4)14-20(21)27(28)17-7-12-23(33-2)24(13-17)34-3/h7-15H,6,16H2,1-5H3