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

Systemtic Name: [(2R)-1-[(4-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-nitrophenyl)sulfanylethanoate Openeye Name: [(1R)-2-(4-chloroanilino)-1-methyl-2-oxo-ethyl] 2-(2-nitrophenyl)sulfanylacetate CAS Name: 2-[(2-nitrophenyl)thio]acetic acid [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(2-nitrophenyl)thio]acetic acid [(1R)-2-(4-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C17H15ClN2O5S MolecularWeight: 394.8294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Cl)OC(=O)CSC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)Cl)OC(=O)CSC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H15ClN2O5S/c1-11(17(22)19-13-8-6-12(18)7-9-13)25-16(21)10-26-15-5-3-2-4-14(15)20(23)24/h2-9,11H,10H2,1H3,(H,19,22)/t11-/m1/s1