[2-[(5-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-phenylsulfanylpropanoate

Systemtic Name: [2-[(5-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-phenylsulfanylpropanoate Openeye Name: [2-(5-chloro-2-nitro-anilino)-2-oxo-ethyl] (2S)-2-phenylsulfanylpropanoate CAS Name: (2S)-2-(phenylthio)propanoic acid [2-(5-chloro-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-nitroanilino)-2-oxoethyl] (2S)-2-phenylsulfanylpropanoate Traditional Name: (2S)-2-(phenylthio)propionic acid [2-(5-chloro-2-nitro-anilino)-2-keto-ethyl] ester Formula: C17H15ClN2O5S MolecularWeight: 394.8294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1=C(C=CC(=C1)Cl)[N+](=O)[O-])SC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NC1=C(C=CC(=C1)Cl)[N+](=O)[O-])SC2=CC=CC=C2

InChI

InChI=1S/C17H15ClN2O5S/c1-11(26-13-5-3-2-4-6-13)17(22)25-10-16(21)19-14-9-12(18)7-8-15(14)20(23)24/h2-9,11H,10H2,1H3,(H,19,21)/t11-/m0/s1