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

Systemtic Name: O4-methyl O2-[2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-methyl O2-[2-(4-methylsulfanylphenyl)-2-oxo-ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-methyl ester O2-[2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: 4-O-methyl 2-O-[2-(4-methylsulfanylphenyl)-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-keto-2-[4-(methylthio)phenyl]ethyl] ester O4-methyl ester Formula: C18H19NO5S MolecularWeight: 361.41216

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO5S/c1-10-15(17(21)23-3)11(2)19-16(10)18(22)24-9-14(20)12-5-7-13(25-4)8-6-12/h5-8,19H,9H2,1-4H3