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

Systemtic Name: methyl 4,5-dimethoxy-2-[[1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[[1-(3-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]benzoate CAS Name: 4,5-dimethoxy-2-[[[1-[3-(methylthio)phenyl]-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[[1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate Traditional Name: 2-[[5-keto-1-[3-(methylthio)phenyl]pyrrolidine-3-carbonyl]amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2CC(=O)N(C2)C3=CC(=CC=C3)SC)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2CC(=O)N(C2)C3=CC(=CC=C3)SC)OC

InChI

InChI=1S/C22H24N2O6S/c1-28-18-10-16(22(27)30-3)17(11-19(18)29-2)23-21(26)13-8-20(25)24(12-13)14-6-5-7-15(9-14)31-4/h5-7,9-11,13H,8,12H2,1-4H3,(H,23,26)