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

Systemtic Name: methyl (5E)-2-methyl-5-[(4-methylsulfanylphenyl)methylidene]-4-oxidanylidene-1H-pyrrole-3-carboxylate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C15H15NO3S MolecularWeight: 289.3495

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=CC2=CC=C(C=C2)SC)N1)C(=O)OC

Isomeric SMILES

CC1=C(C(=O)/C(=C\C2=CC=C(C=C2)SC)/N1)C(=O)OC

InChI

InChI=1S/C15H15NO3S/c1-9-13(15(18)19-2)14(17)12(16-9)8-10-4-6-11(20-3)7-5-10/h4-8,16H,1-3H3/b12-8+