O1-ethyl O3-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-ethyl O3-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[2-(3-methylsulfanylanilino)-2-oxo-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: 1-O-ethyl 3-O-[2-(3-methylsulfanylanilino)-2-oxoethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C19H18N2O7S MolecularWeight: 418.42042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O7S/c1-3-27-18(23)12-7-13(9-15(8-12)21(25)26)19(24)28-11-17(22)20-14-5-4-6-16(10-14)29-2/h4-10H,3,11H2,1-2H3,(H,20,22)