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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=CC=C(C=C2)SC)C(=O)N1C)C(=O)OC

Isomeric SMILES

CC1=C(/C(=C\C2=CC=C(C=C2)SC)/C(=O)N1C)C(=O)OC

InChI

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