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

Systemtic Name: O2-ethyl O4-[2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-ethyl O4-[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-ethyl ester O4-[2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: 2-O-ethyl 4-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-ethyl ester O4-[2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C19H21NO5S MolecularWeight: 375.43874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)C2=CC=C(C=C2)SC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)C2=CC=C(C=C2)SC)C

InChI

InChI=1S/C19H21NO5S/c1-5-24-19(23)17-11(2)16(12(3)20-17)18(22)25-10-15(21)13-6-8-14(26-4)9-7-13/h6-9,20H,5,10H2,1-4H3