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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC(=O)CC(C2=CC=C(C=C2)F)C(=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC(=O)C[C@@H](C2=CC=C(C=C2)F)C(=O)[O-]

InChI

InChI=1S/C18H15FN2O3S/c1-11-8-14(25-10-20)6-7-16(11)21-17(22)9-15(18(23)24)12-2-4-13(19)5-3-12/h2-8,15H,9H2,1H3,(H,21,22)(H,23,24)/p-1/t15-/m0/s1