2-(4-fluorophenyl)-4-oxidanylidene-4-[(4-thiocyanatophenyl)amino]butanoic acid

Systemtic Name: 2-(4-fluorophenyl)-4-oxidanylidene-4-[(4-thiocyanatophenyl)amino]butanoic acid Openeye Name: 2-(4-fluorophenyl)-4-oxo-4-(4-thiocyanatoanilino)butanoic acid CAS Name: 2-(4-fluorophenyl)-4-oxo-4-(4-thiocyanatoanilino)butanoic acid IUPAC Name: 2-(4-fluorophenyl)-4-oxo-4-(4-thiocyanatoanilino)butanoic acid Traditional Name: 2-(4-fluorophenyl)-4-keto-4-(4-thiocyanatoanilino)butyric acid Formula: C17H13FN2O3S MolecularWeight: 344.360123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CC(=O)NC2=CC=C(C=C2)SC#N)C(=O)O)F

Isomeric SMILES

C1=CC(=CC=C1C(CC(=O)NC2=CC=C(C=C2)SC#N)C(=O)O)F

InChI

InChI=1S/C17H13FN2O3S/c18-12-3-1-11(2-4-12)15(17(22)23)9-16(21)20-13-5-7-14(8-6-13)24-10-19/h1-8,15H,9H2,(H,20,21)(H,22,23)