[(2S)-1-[(5-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-nitrophenyl)sulfanylethanoate

Systemtic Name: [(2S)-1-[(5-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-nitrophenyl)sulfanylethanoate Openeye Name: [(1S)-2-(5-chloro-2-methyl-anilino)-1-methyl-2-oxo-ethyl] 2-(2-nitrophenyl)sulfanylacetate CAS Name: 2-[(2-nitrophenyl)thio]acetic acid [(2S)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(2-nitrophenyl)thio]acetic acid [(1S)-2-(5-chloro-2-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C18H17ClN2O5S MolecularWeight: 408.85598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN2O5S/c1-11-7-8-13(19)9-14(11)20-18(23)12(2)26-17(22)10-27-16-6-4-3-5-15(16)21(24)25/h3-9,12H,10H2,1-2H3,(H,20,23)/t12-/m0/s1