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

Systemtic Name: 4-oxidanylidene-2-phenyl-4-[(4-thiocyanatophenyl)amino]butanoic acid Openeye Name: 4-oxo-2-phenyl-4-(4-thiocyanatoanilino)butanoic acid CAS Name: 4-oxo-2-phenyl-4-(4-thiocyanatoanilino)butanoic acid IUPAC Name: 4-oxo-2-phenyl-4-(4-thiocyanatoanilino)butanoic acid Traditional Name: 4-keto-2-phenyl-4-(4-thiocyanatoanilino)butyric acid Formula: C17H14N2O3S MolecularWeight: 326.36966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O3S/c18-11-23-14-8-6-13(7-9-14)19-16(20)10-15(17(21)22)12-4-2-1-3-5-12/h1-9,15H,10H2,(H,19,20)(H,21,22)