ethyl 4-[[1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[1-(3-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]benzoate CAS Name: 4-[[[1-[3-(methylthio)phenyl]-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate Traditional Name: 4-[[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=C(C=C1)NC(=O)C2CC(=O)N(C2)C3=CC(=CC=C3)SC

Isomeric SMILES

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

InChI

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