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

Systemtic Name: S-(4-methoxyphenyl) 2-[1-(4-chlorophenyl)carbonyl-5-methyl-indol-3-yl]ethanethioate Openeye Name: S-(4-methoxyphenyl) 2-[1-(4-chlorobenzoyl)-5-methyl-indol-3-yl]ethanethioate CAS Name: 2-[1-[(4-chlorophenyl)-oxomethyl]-5-methyl-3-indolyl]ethanethioic acid S-(4-methoxyphenyl) ester IUPAC Name: S-(4-methoxyphenyl) 2-[1-(4-chlorobenzoyl)-5-methylindol-3-yl]ethanethioate Traditional Name: 2-[1-(4-chlorobenzoyl)-5-methyl-indol-3-yl]ethanethioic acid S-(4-methoxyphenyl) ester Formula: C25H20ClNO3S MolecularWeight: 449.9492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C=C2CC(=O)SC3=CC=C(C=C3)OC)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N(C=C2CC(=O)SC3=CC=C(C=C3)OC)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H20ClNO3S/c1-16-3-12-23-22(13-16)18(14-24(28)31-21-10-8-20(30-2)9-11-21)15-27(23)25(29)17-4-6-19(26)7-5-17/h3-13,15H,14H2,1-2H3