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

Systemtic Name: 4-[[3-cyano-4-(4-fluorophenyl)-5-methyl-thiophen-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[3-cyano-4-(4-fluorophenyl)-5-methyl-2-thienyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[3-cyano-4-(4-fluorophenyl)-5-methyl-2-thiophenyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[3-cyano-4-(4-fluorophenyl)-5-methylthiophen-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[3-cyano-4-(4-fluorophenyl)-5-methyl-2-thienyl]amino]-4-keto-butyric acid Formula: C16H13FN2O3S MolecularWeight: 332.349423

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C16H13FN2O3S/c1-9-15(10-2-4-11(17)5-3-10)12(8-18)16(23-9)19-13(20)6-7-14(21)22/h2-5H,6-7H2,1H3,(H,19,20)(H,21,22)