[(2S)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl] 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate

Systemtic Name: [(2S)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl] 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate Openeye Name: [(1S)-1-[(4-fluorophenyl)carbamoyl]propyl] 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]acetic acid [(2S)-1-(4-fluoroanilino)-1-oxobutan-2-yl] ester IUPAC Name: [(2S)-1-(4-fluoroanilino)-1-oxobutan-2-yl] 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]acetic acid [(1S)-1-[(4-fluorophenyl)carbamoyl]propyl] ester Formula: C17H17FN2O4S MolecularWeight: 364.391283

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)F)OC(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC[C@@H](C(=O)NC1=CC=C(C=C1)F)OC(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C17H17FN2O4S/c1-2-14(17(22)19-13-8-6-12(18)7-9-13)24-16(21)11-25-15-5-3-4-10-20(15)23/h3-10,14H,2,11H2,1H3,(H,19,22)/t14-/m0/s1