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

Systemtic Name: 4-[[3-aminocarbonyl-5-methyl-4-(4-methylphenyl)thiophen-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[3-carbamoyl-5-methyl-4-(p-tolyl)-2-thienyl]amino]-4-oxo-butanoate CAS Name: 4-[[3-carbamoyl-5-methyl-4-(4-methylphenyl)-2-thiophenyl]amino]-4-oxobutanoate IUPAC Name: 4-[[3-carbamoyl-5-methyl-4-(4-methylphenyl)thiophen-2-yl]amino]-4-oxobutanoate Traditional Name: 4-[[3-carbamoyl-5-methyl-4-(p-tolyl)-2-thienyl]amino]-4-keto-butyrate Formula: C17H17N2O4S- MolecularWeight: 345.39288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O4S/c1-9-3-5-11(6-4-9)14-10(2)24-17(15(14)16(18)23)19-12(20)7-8-13(21)22/h3-6H,7-8H2,1-2H3,(H2,18,23)(H,19,20)(H,21,22)/p-1