[(2R)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-phenylsulfanylpropanoate

Systemtic Name: [(2R)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-phenylsulfanylpropanoate Openeye Name: [(1R)-2-(4-fluoroanilino)-1-methyl-2-oxo-ethyl] (2S)-2-phenylsulfanylpropanoate CAS Name: (2S)-2-(phenylthio)propanoic acid [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] (2S)-2-phenylsulfanylpropanoate Traditional Name: (2S)-2-(phenylthio)propionic acid [(1R)-2-(4-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H18FNO3S MolecularWeight: 347.403823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)F)OC(=O)C(C)SC2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)F)OC(=O)[C@H](C)SC2=CC=CC=C2

InChI

InChI=1S/C18H18FNO3S/c1-12(17(21)20-15-10-8-14(19)9-11-15)23-18(22)13(2)24-16-6-4-3-5-7-16/h3-13H,1-2H3,(H,20,21)/t12-,13+/m1/s1