ethyl (5E)-2-(2-ethoxy-2-oxidanylidene-ethyl)-1-methyl-5-[(4-methylphenyl)-sulfanyl-methylidene]-4-oxidanylidene-pyrrole-3-carboxylate

Systemtic Name: ethyl (5E)-2-(2-ethoxy-2-oxidanylidene-ethyl)-1-methyl-5-[(4-methylphenyl)-sulfanyl-methylidene]-4-oxidanylidene-pyrrole-3-carboxylate Openeye Name: ethyl (5E)-2-(2-ethoxy-2-oxo-ethyl)-1-methyl-4-oxo-5-[p-tolyl(sulfanyl)methylene]pyrrole-3-carboxylate CAS Name: (5E)-2-(2-ethoxy-2-oxoethyl)-5-[mercapto-(4-methylphenyl)methylidene]-1-methyl-4-oxo-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl (5E)-2-(2-ethoxy-2-oxoethyl)-1-methyl-5-[(4-methylphenyl)-sulfanylmethylidene]-4-oxopyrrole-3-carboxylate Traditional Name: (5E)-2-(2-ethoxy-2-keto-ethyl)-4-keto-5-[mercapto(p-tolyl)methylene]-1-methyl-2-pyrroline-3-carboxylic acid ethyl ester Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(C(=O)C(=C(C2=CC=C(C=C2)C)S)N1C)C(=O)OCC

Isomeric SMILES

CCOC(=O)CC1=C(C(=O)/C(=C(/C2=CC=C(C=C2)C)\S)/N1C)C(=O)OCC

InChI

InChI=1S/C20H23NO5S/c1-5-25-15(22)11-14-16(20(24)26-6-2)18(23)17(21(14)4)19(27)13-9-7-12(3)8-10-13/h7-10,27H,5-6,11H2,1-4H3/b19-17+