[(2R)-1-[(2-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-nitrophenyl)sulfanylethanoate

Systemtic Name: [(2R)-1-[(2-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: [(1R)-2-(2-acetylanilino)-1-methyl-2-oxo-ethyl] 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid [(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid [(1R)-2-(2-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H18N2O6S MolecularWeight: 402.42102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)C)OC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C(=O)C)OC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O6S/c1-12(22)16-5-3-4-6-17(16)20-19(24)13(2)27-18(23)11-28-15-9-7-14(8-10-15)21(25)26/h3-10,13H,11H2,1-2H3,(H,20,24)/t13-/m1/s1