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

Systemtic Name: O2-[2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] O4-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-isopropyl 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 O2-[2-[4-(methylthio)phenyl]-2-oxoethyl] ester O4-propan-2-yl ester IUPAC Name: 2-O-[2-(4-methylsulfanylphenyl)-2-oxoethyl] 4-O-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-isopropyl ester O2-[2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO5S/c1-11(2)26-19(23)17-12(3)18(21-13(17)4)20(24)25-10-16(22)14-6-8-15(27-5)9-7-14/h6-9,11,21H,10H2,1-5H3