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

Systemtic Name: 4-[(3-aminocarbonylthiophen-2-yl)amino]-2-(4-fluorophenyl)-4-oxidanylidene-butanoic acid Openeye Name: 4-[(3-carbamoyl-2-thienyl)amino]-2-(4-fluorophenyl)-4-oxo-butanoic acid CAS Name: 4-[(3-carbamoyl-2-thiophenyl)amino]-2-(4-fluorophenyl)-4-oxobutanoic acid IUPAC Name: 4-[(3-carbamoylthiophen-2-yl)amino]-2-(4-fluorophenyl)-4-oxobutanoic acid Traditional Name: 4-[(3-carbamoyl-2-thienyl)amino]-2-(4-fluorophenyl)-4-keto-butyric acid Formula: C15H13FN2O4S MolecularWeight: 336.338123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13FN2O4S/c16-9-3-1-8(2-4-9)11(15(21)22)7-12(19)18-14-10(13(17)20)5-6-23-14/h1-6,11H,7H2,(H2,17,20)(H,18,19)(H,21,22)