[2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 4-(4-chlorophenyl)sulfanylbutanoate

Systemtic Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 4-(4-chlorophenyl)sulfanylbutanoate Openeye Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxo-ethyl] 4-(4-chlorophenyl)sulfanylbutanoate CAS Name: 4-[(4-chlorophenyl)thio]butanoic acid [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-(4-chlorophenyl)sulfanylbutanoate Traditional Name: 4-[(4-chlorophenyl)thio]butyric acid [2-(7-ethyl-1H-indol-3-yl)-2-keto-ethyl] ester Formula: C22H22ClNO3S MolecularWeight: 415.93298

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)CCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)CCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H22ClNO3S/c1-2-15-5-3-6-18-19(13-24-22(15)18)20(25)14-27-21(26)7-4-12-28-17-10-8-16(23)9-11-17/h3,5-6,8-11,13,24H,2,4,7,12,14H2,1H3