S-(2,4,6-trimethylphenyl) 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanethioate

Systemtic Name: S-(2,4,6-trimethylphenyl) 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanethioate Openeye Name: S-(2,4,6-trimethylphenyl) 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-(2,4,6-trimethylphenyl) ester IUPAC Name: S-(2,4,6-trimethylphenyl) 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-mesityl ester Formula: C28H26ClNO3S MolecularWeight: 492.02894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H26ClNO3S/c1-16-12-17(2)27(18(3)13-16)34-26(31)15-23-19(4)30(25-11-10-22(33-5)14-24(23)25)28(32)20-6-8-21(29)9-7-20/h6-14H,15H2,1-5H3