[(2S)-1-oxidanylidene-1-[2-(phenylcarbonyl)hydrazinyl]propan-2-yl] 2-(2-nitrophenyl)sulfanylethanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[2-(phenylcarbonyl)hydrazinyl]propan-2-yl] 2-(2-nitrophenyl)sulfanylethanoate Openeye Name: [(1S)-2-(2-benzoylhydrazino)-1-methyl-2-oxo-ethyl] 2-(2-nitrophenyl)sulfanylacetate CAS Name: 2-[(2-nitrophenyl)thio]acetic acid [(2S)-1-(benzoylhydrazo)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(2-nitrophenyl)thio]acetic acid [(1S)-2-(N'-benzoylhydrazino)-2-keto-1-methyl-ethyl] ester Formula: C18H17N3O6S MolecularWeight: 403.40908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=O)C1=CC=CC=C1)OC(=O)CSC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O6S/c1-12(17(23)19-20-18(24)13-7-3-2-4-8-13)27-16(22)11-28-15-10-6-5-9-14(15)21(25)26/h2-10,12H,11H2,1H3,(H,19,23)(H,20,24)/t12-/m0/s1