[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(4-chlorophenyl)sulfanylpropanoate

Systemtic Name: [2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(4-chlorophenyl)sulfanylpropanoate Openeye Name: [2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl] (2S)-2-(4-chlorophenyl)sulfanylpropanoate CAS Name: (2S)-2-[(4-chlorophenyl)thio]propanoic acid [2-(2-methyl-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-5-nitroanilino)-2-oxoethyl] (2S)-2-(4-chlorophenyl)sulfanylpropanoate Traditional Name: (2S)-2-[(4-chlorophenyl)thio]propionic acid [2-keto-2-(2-methyl-5-nitro-anilino)ethyl] ester Formula: C18H17ClN2O5S MolecularWeight: 408.85598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C(C)SC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)[C@H](C)SC2=CC=C(C=C2)Cl

InChI

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