S-(4-methylphenyl) 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanethioate

Systemtic Name: S-(4-methylphenyl) 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanethioate Openeye Name: S-(p-tolyl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]ethanethioate CAS Name: 2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]ethanethioic acid S-(4-methylphenyl) ester IUPAC Name: S-(4-methylphenyl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]ethanethioate Traditional Name: 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]ethanethioic acid S-(p-tolyl) ester Formula: C26H22ClNO3S MolecularWeight: 463.97578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(=O)CC2=C(N(C3=C2C=C(C=C3)OC)C(=O)C4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)SC(=O)CC2=C(N(C3=C2C=C(C=C3)OC)C(=O)C4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C26H22ClNO3S/c1-16-4-11-21(12-5-16)32-25(29)15-22-17(2)28(24-13-10-20(31-3)14-23(22)24)26(30)18-6-8-19(27)9-7-18/h4-14H,15H2,1-3H3