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

Systemtic Name: methyl 2-[[4-[[1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]phenyl]carbonylamino]ethanoate Openeye Name: methyl 2-[[4-[[1-(4-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]benzoyl]amino]acetate CAS Name: 2-[[[4-[[[1-[4-(methylthio)phenyl]-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]phenyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-[[1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoyl]amino]acetate Traditional Name: 2-[[4-[[5-keto-1-[4-(methylthio)phenyl]pyrrolidine-3-carbonyl]amino]benzoyl]amino]acetic acid methyl ester Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O5S/c1-30-20(27)12-23-21(28)14-3-5-16(6-4-14)24-22(29)15-11-19(26)25(13-15)17-7-9-18(31-2)10-8-17/h3-10,15H,11-13H2,1-2H3,(H,23,28)(H,24,29)