(4-methylsulfanylphenyl)methyl 2-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonylamino]ethanoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 2-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonylamino]ethanoate Openeye Name: (4-methylsulfanylphenyl)methyl 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate CAS Name: 2-[[oxo-[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]amino]acetic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate Traditional Name: 2-[[4-(2-ketopyrrolidino)benzoyl]amino]acetic acid [4-(methylthio)benzyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC(=O)CNC(=O)C2=CC=C(C=C2)N3CCCC3=O

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)CNC(=O)C2=CC=C(C=C2)N3CCCC3=O

InChI

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