ethyl (5E)-2-methyl-5-[(4-methylsulfanylphenyl)methylidene]-4-oxidanylidene-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl (5E)-2-methyl-5-[(4-methylsulfanylphenyl)methylidene]-4-oxidanylidene-1H-pyrrole-3-carboxylate Openeye Name: ethyl (5E)-2-methyl-5-[(4-methylsulfanylphenyl)methylene]-4-oxo-1H-pyrrole-3-carboxylate CAS Name: (5E)-2-methyl-5-[[4-(methylthio)phenyl]methylidene]-4-oxo-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (5E)-2-methyl-5-[(4-methylsulfanylphenyl)methylidene]-4-oxo-1H-pyrrole-3-carboxylate Traditional Name: (5E)-4-keto-2-methyl-5-[4-(methylthio)benzylidene]-2-pyrroline-3-carboxylic acid ethyl ester Formula: C16H17NO3S MolecularWeight: 303.37608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=CC2=CC=C(C=C2)SC)C1=O)C

Isomeric SMILES

CCOC(=O)C1=C(N/C(=C/C2=CC=C(C=C2)SC)/C1=O)C

InChI

InChI=1S/C16H17NO3S/c1-4-20-16(19)14-10(2)17-13(15(14)18)9-11-5-7-12(21-3)8-6-11/h5-9,17H,4H2,1-3H3/b13-9+