dimethyl 5-[[1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[1-(4-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[1-[4-(methylthio)phenyl]-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[5-keto-1-[4-(methylthio)phenyl]pyrrolidine-3-carbonyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O6S/c1-29-21(27)13-8-14(22(28)30-2)10-16(9-13)23-20(26)15-11-19(25)24(12-15)17-4-6-18(31-3)7-5-17/h4-10,15H,11-12H2,1-3H3,(H,23,26)