4-[(3-cyanothiophen-2-yl)amino]-2-(4-fluorophenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(3-cyanothiophen-2-yl)amino]-2-(4-fluorophenyl)-4-oxidanylidene-butanoic acid Openeye Name: 4-[(3-cyano-2-thienyl)amino]-2-(4-fluorophenyl)-4-oxo-butanoic acid CAS Name: 4-[(3-cyano-2-thiophenyl)amino]-2-(4-fluorophenyl)-4-oxobutanoic acid IUPAC Name: 4-[(3-cyanothiophen-2-yl)amino]-2-(4-fluorophenyl)-4-oxobutanoic acid Traditional Name: 4-[(3-cyano-2-thienyl)amino]-2-(4-fluorophenyl)-4-keto-butyric acid Formula: C15H11FN2O3S MolecularWeight: 318.322843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CC(=O)NC2=C(C=CS2)C#N)C(=O)O)F

Isomeric SMILES

C1=CC(=CC=C1C(CC(=O)NC2=C(C=CS2)C#N)C(=O)O)F

InChI

InChI=1S/C15H11FN2O3S/c16-11-3-1-9(2-4-11)12(15(20)21)7-13(19)18-14-10(8-17)5-6-22-14/h1-6,12H,7H2,(H,18,19)(H,20,21)