[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-[(2-oxidanylidenepyrrolidin-1-yl)methyl]benzoate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-[(2-oxidanylidenepyrrolidin-1-yl)methyl]benzoate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate CAS Name: 3-[(2-oxo-1-pyrrolidinyl)methyl]benzoic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate Traditional Name: 3-[(2-ketopyrrolidino)methyl]benzoic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)COC(=O)C2=CC(=CC=C2)CN3CCCC3=O

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)COC(=O)C2=CC(=CC=C2)CN3CCCC3=O

InChI

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