O2-[2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] O4-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-[2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] O4-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-[2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxo-ethyl] O4-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-[3-acetamido-4-(methylthio)phenyl]-2-oxoethyl] ester O4-methyl ester IUPAC Name: 2-O-[2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 4-O-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-[3-acetamido-4-(methylthio)phenyl]-2-keto-ethyl] ester O4-methyl ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)OCC(=O)C2=CC(=C(C=C2)SC)NC(=O)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)OCC(=O)C2=CC(=C(C=C2)SC)NC(=O)C

InChI

InChI=1S/C20H22N2O6S/c1-10-17(19(25)27-4)11(2)21-18(10)20(26)28-9-15(24)13-6-7-16(29-5)14(8-13)22-12(3)23/h6-8,21H,9H2,1-5H3,(H,22,23)