2-[(2S)-1-[(4-methoxy-2-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoate

Systemtic Name: 2-[(2S)-1-[(4-methoxy-2-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoate Openeye Name: 2-[(1S)-2-(4-methoxy-2-nitro-anilino)-1-methyl-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[(2S)-1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl]thio]benzoate IUPAC Name: 2-[(2S)-1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl]sulfanylbenzoate Traditional Name: 2-[[(1S)-2-keto-2-(4-methoxy-2-nitro-anilino)-1-methyl-ethyl]thio]benzoate Formula: C17H15N2O6S- MolecularWeight: 375.3758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O6S/c1-10(26-15-6-4-3-5-12(15)17(21)22)16(20)18-13-8-7-11(25-2)9-14(13)19(23)24/h3-10H,1-2H3,(H,18,20)(H,21,22)/p-1/t10-/m0/s1