(1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate

Systemtic Name: (1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Openeye Name: (1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid [1-oxo-1-(1-pyrrolidinyl)propan-2-yl] ester IUPAC Name: (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid (2-keto-1-methyl-2-pyrrolidino-ethyl) ester Formula: C21H22ClNO3S MolecularWeight: 403.92228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)OC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C(=O)N1CCCC1)OC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClNO3S/c1-15(20(24)23-12-2-3-13-23)26-21(25)17-6-4-16(5-7-17)14-27-19-10-8-18(22)9-11-19/h4-11,15H,2-3,12-14H2,1H3