(2S)-4-[(2-fluoranyl-4-thiocyanato-phenyl)amino]-2-methyl-4-oxidanylidene-2-phenyl-butanoate

Systemtic Name: (2S)-4-[(2-fluoranyl-4-thiocyanato-phenyl)amino]-2-methyl-4-oxidanylidene-2-phenyl-butanoate Openeye Name: (2S)-4-(2-fluoro-4-thiocyanato-anilino)-2-methyl-4-oxo-2-phenyl-butanoate CAS Name: (2S)-4-(2-fluoro-4-thiocyanatoanilino)-2-methyl-4-oxo-2-phenylbutanoate IUPAC Name: (2S)-4-(2-fluoro-4-thiocyanatoanilino)-2-methyl-4-oxo-2-phenylbutanoate Traditional Name: (2S)-4-(2-fluoro-4-thiocyanato-anilino)-4-keto-2-methyl-2-phenyl-butyrate Formula: C18H14FN2O3S- MolecularWeight: 357.378763

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=C(C=C(C=C1)SC#N)F)(C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C[C@](CC(=O)NC1=C(C=C(C=C1)SC#N)F)(C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C18H15FN2O3S/c1-18(17(23)24,12-5-3-2-4-6-12)10-16(22)21-15-8-7-13(25-11-20)9-14(15)19/h2-9H,10H2,1H3,(H,21,22)(H,23,24)/p-1/t18-/m0/s1