2-[(2S)-1-[(3-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid

Systemtic Name: 2-[(2S)-1-[(3-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid Openeye Name: 2-[(1S)-2-(3-fluoroanilino)-1-methyl-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl]thio]benzoic acid IUPAC Name: 2-[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl]sulfanylbenzoic acid Traditional Name: 2-[[(1S)-2-(3-fluoroanilino)-2-keto-1-methyl-ethyl]thio]benzoic acid Formula: C16H14FNO3S MolecularWeight: 319.350663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)F)SC2=CC=CC=C2C(=O)O

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)F)SC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C16H14FNO3S/c1-10(15(19)18-12-6-4-5-11(17)9-12)22-14-8-3-2-7-13(14)16(20)21/h2-10H,1H3,(H,18,19)(H,20,21)/t10-/m0/s1