(2S)-2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbutanoate

Systemtic Name: (2S)-2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbutanoate Openeye Name: (2S)-2-[2-(4-fluoroanilino)-2-oxo-ethyl]sulfanylbutanoate CAS Name: (2S)-2-[[2-(4-fluoroanilino)-2-oxoethyl]thio]butanoate IUPAC Name: (2S)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylbutanoate Traditional Name: (2S)-2-[[2-(4-fluoroanilino)-2-keto-ethyl]thio]butyrate Formula: C12H13FNO3S- MolecularWeight: 270.299923

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])SCC(=O)NC1=CC=C(C=C1)F

Isomeric SMILES

CC[C@@H](C(=O)[O-])SCC(=O)NC1=CC=C(C=C1)F

InChI

InChI=1S/C12H14FNO3S/c1-2-10(12(16)17)18-7-11(15)14-9-5-3-8(13)4-6-9/h3-6,10H,2,7H2,1H3,(H,14,15)(H,16,17)/p-1/t10-/m0/s1