4-[[3-cyano-4-(4-methoxyphenyl)-5-methyl-thiophen-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-cyano-4-(4-methoxyphenyl)-5-methyl-thiophen-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[3-cyano-4-(4-methoxyphenyl)-5-methyl-2-thienyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[3-cyano-4-(4-methoxyphenyl)-5-methyl-2-thiophenyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[3-cyano-4-(4-methoxyphenyl)-5-methylthiophen-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[3-cyano-4-(4-methoxyphenyl)-5-methyl-2-thienyl]amino]-4-keto-butyric acid Formula: C17H16N2O4S MolecularWeight: 344.38494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)CCC(=O)O)C#N)C2=CC=C(C=C2)OC

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)CCC(=O)O)C#N)C2=CC=C(C=C2)OC

InChI

InChI=1S/C17H16N2O4S/c1-10-16(11-3-5-12(23-2)6-4-11)13(9-18)17(24-10)19-14(20)7-8-15(21)22/h3-6H,7-8H2,1-2H3,(H,19,20)(H,21,22)