methyl 2-[[1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[1-(4-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]benzoate CAS Name: 2-[[[1-[4-(methylthio)phenyl]-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate Traditional Name: 2-[[5-keto-1-[4-(methylthio)phenyl]pyrrolidine-3-carbonyl]amino]benzoic acid methyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O4S/c1-26-20(25)16-5-3-4-6-17(16)21-19(24)13-11-18(23)22(12-13)14-7-9-15(27-2)10-8-14/h3-10,13H,11-12H2,1-2H3,(H,21,24)