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

Systemtic Name: methyl 4-[2-[[1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[[1-(4-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]ethyl]benzoate CAS Name: 4-[2-[[[1-[4-(methylthio)phenyl]-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[[1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]benzoate Traditional Name: 4-[2-[[5-keto-1-[4-(methylthio)phenyl]pyrrolidine-3-carbonyl]amino]ethyl]benzoic acid methyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4S/c1-28-22(27)16-5-3-15(4-6-16)11-12-23-21(26)17-13-20(25)24(14-17)18-7-9-19(29-2)10-8-18/h3-10,17H,11-14H2,1-2H3,(H,23,26)