[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 4-(4-chlorophenyl)sulfanylbutanoate

Systemtic Name: [2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 4-(4-chlorophenyl)sulfanylbutanoate Openeye Name: [2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] 4-(4-chlorophenyl)sulfanylbutanoate CAS Name: 4-[(4-chlorophenyl)thio]butanoic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 4-(4-chlorophenyl)sulfanylbutanoate Traditional Name: 4-[(4-chlorophenyl)thio]butyric acid [2-keto-2-(2-methyl-1H-indol-3-yl)ethyl] ester Formula: C21H20ClNO3S MolecularWeight: 401.9064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)CCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)CCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H20ClNO3S/c1-14-21(17-5-2-3-6-18(17)23-14)19(24)13-26-20(25)7-4-12-27-16-10-8-15(22)9-11-16/h2-3,5-6,8-11,23H,4,7,12-13H2,1H3