ethyl 2-[[(3S)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate

Systemtic Name: ethyl 2-[[(3S)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate Openeye Name: ethyl 2-[[(3S)-1-(3-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]benzoate CAS Name: 2-[[[(3S)-1-[3-(methylthio)phenyl]-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[(3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate Traditional Name: 2-[[(3S)-5-keto-1-[3-(methylthio)phenyl]pyrrolidine-3-carbonyl]amino]benzoic acid ethyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)C2CC(=O)N(C2)C3=CC(=CC=C3)SC

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)[C@H]2CC(=O)N(C2)C3=CC(=CC=C3)SC

InChI

InChI=1S/C21H22N2O4S/c1-3-27-21(26)17-9-4-5-10-18(17)22-20(25)14-11-19(24)23(13-14)15-7-6-8-16(12-15)28-2/h4-10,12,14H,3,11,13H2,1-2H3,(H,22,25)/t14-/m0/s1