[4-(methylcarbamoyl)phenyl] 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate

Systemtic Name: [4-(methylcarbamoyl)phenyl] 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate Openeye Name: [4-(methylcarbamoyl)phenyl] 2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]benzoic acid [4-(methylcarbamoyl)phenyl] ester IUPAC Name: [4-(methylcarbamoyl)phenyl] 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate Traditional Name: 2-[(2-keto-2-pyrrolidino-ethyl)thio]benzoic acid [4-(methylcarbamoyl)phenyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3

InChI

InChI=1S/C21H22N2O4S/c1-22-20(25)15-8-10-16(11-9-15)27-21(26)17-6-2-3-7-18(17)28-14-19(24)23-12-4-5-13-23/h2-3,6-11H,4-5,12-14H2,1H3,(H,22,25)