4-[[3-cyano-5-methyl-4-(4-methylphenyl)thiophen-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[3-cyano-5-methyl-4-(4-methylphenyl)thiophen-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[3-cyano-5-methyl-4-(p-tolyl)-2-thienyl]amino]-4-oxo-butanoate CAS Name: 4-[[3-cyano-5-methyl-4-(4-methylphenyl)-2-thiophenyl]amino]-4-oxobutanoate IUPAC Name: 4-[[3-cyano-5-methyl-4-(4-methylphenyl)thiophen-2-yl]amino]-4-oxobutanoate Traditional Name: 4-[[3-cyano-5-methyl-4-(p-tolyl)-2-thienyl]amino]-4-keto-butyrate Formula: C17H15N2O3S- MolecularWeight: 327.3776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC(=C2C#N)NC(=O)CCC(=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC(=C2C#N)NC(=O)CCC(=O)[O-])C

InChI

InChI=1S/C17H16N2O3S/c1-10-3-5-12(6-4-10)16-11(2)23-17(13(16)9-18)19-14(20)7-8-15(21)22/h3-6H,7-8H2,1-2H3,(H,19,20)(H,21,22)/p-1