(4-acetamidophenyl) 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3

InChI

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