2-[(2S)-1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoate

Systemtic Name: 2-[(2S)-1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoate Openeye Name: 2-[(1S)-1-methyl-2-(3-nitroanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[(2S)-1-(3-nitroanilino)-1-oxopropan-2-yl]thio]benzoate IUPAC Name: 2-[(2S)-1-(3-nitroanilino)-1-oxopropan-2-yl]sulfanylbenzoate Traditional Name: 2-[[(1S)-2-keto-1-methyl-2-(3-nitroanilino)ethyl]thio]benzoate Formula: C16H13N2O5S- MolecularWeight: 345.34982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C16H14N2O5S/c1-10(24-14-8-3-2-7-13(14)16(20)21)15(19)17-11-5-4-6-12(9-11)18(22)23/h2-10H,1H3,(H,17,19)(H,20,21)/p-1/t10-/m0/s1