methyl 4-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-(2-methylsulfanylanilino)-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-[2-(methylthio)anilino]-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(2-methylsulfanylanilino)-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-keto-2-[2-(methylthio)anilino]ethoxy]-3-nitro-benzoic acid methyl ester Formula: C17H16N2O6S MolecularWeight: 376.38374

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCC(=O)NC2=CC=CC=C2SC)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCC(=O)NC2=CC=CC=C2SC)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O6S/c1-24-17(21)11-7-8-14(13(9-11)19(22)23)25-10-16(20)18-12-5-3-4-6-15(12)26-2/h3-9H,10H2,1-2H3,(H,18,20)