(2R)-4-oxidanylidene-2-phenyl-4-[(4-thiocyanatophenyl)amino]butanoate

Systemtic Name: (2R)-4-oxidanylidene-2-phenyl-4-[(4-thiocyanatophenyl)amino]butanoate Openeye Name: (2R)-4-oxo-2-phenyl-4-(4-thiocyanatoanilino)butanoate CAS Name: (2R)-4-oxo-2-phenyl-4-(4-thiocyanatoanilino)butanoate IUPAC Name: (2R)-4-oxo-2-phenyl-4-(4-thiocyanatoanilino)butanoate Traditional Name: (2R)-4-keto-2-phenyl-4-(4-thiocyanatoanilino)butyrate Formula: C17H13N2O3S- MolecularWeight: 325.36172

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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@@H](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)/p-1/t15-/m1/s1