[(2S)-1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-nitrophenyl)sulfanylethanoate

Systemtic Name: [(2S)-1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: [(1S)-2-(3-fluoro-4-methyl-anilino)-1-methyl-2-oxo-ethyl] 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid [(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid [(1S)-2-(3-fluoro-4-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C18H17FN2O5S MolecularWeight: 392.401383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)OC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C)OC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])F

InChI

InChI=1S/C18H17FN2O5S/c1-11-3-4-13(9-16(11)19)20-18(23)12(2)26-17(22)10-27-15-7-5-14(6-8-15)21(24)25/h3-9,12H,10H2,1-2H3,(H,20,23)/t12-/m0/s1