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

Systemtic Name: S-(phenylmethyl) 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanethioate Openeye Name: S-benzyl 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-(phenylmethyl) ester IUPAC Name: S-benzyl 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-benzyl ester Formula: C26H22ClNO3S MolecularWeight: 463.97578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)SCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)SCC4=CC=CC=C4

InChI

InChI=1S/C26H22ClNO3S/c1-17-22(15-25(29)32-16-18-6-4-3-5-7-18)23-14-21(31-2)12-13-24(23)28(17)26(30)19-8-10-20(27)11-9-19/h3-14H,15-16H2,1-2H3