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

Systemtic Name: S-(4-tert-butylphenyl) 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanethioate Openeye Name: S-(4-tert-butylphenyl) 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-tert-butylphenyl) ester IUPAC Name: S-(4-tert-butylphenyl) 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-(4-tert-butylphenyl) ester Formula: C29H28ClNO3S MolecularWeight: 506.05552

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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)SC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)SC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C29H28ClNO3S/c1-18-24(17-27(32)35-23-13-8-20(9-14-23)29(2,3)4)25-16-22(34-5)12-15-26(25)31(18)28(33)19-6-10-21(30)11-7-19/h6-16H,17H2,1-5H3