[2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl] 2-methyl-6-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl] 2-methyl-6-nitro-benzoate Openeye Name: [2-(2-allylsulfanylanilino)-2-oxo-ethyl] 2-methyl-6-nitro-benzoate CAS Name: 2-methyl-6-nitrobenzoic acid [2-oxo-2-[2-(prop-2-enylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl] 2-methyl-6-nitrobenzoate Traditional Name: 2-methyl-6-nitro-benzoic acid [2-[2-(allylthio)anilino]-2-keto-ethyl] ester Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=CC=CC=C2SCC=C

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=CC=CC=C2SCC=C

InChI

InChI=1S/C19H18N2O5S/c1-3-11-27-16-10-5-4-8-14(16)20-17(22)12-26-19(23)18-13(2)7-6-9-15(18)21(24)25/h3-10H,1,11-12H2,2H3,(H,20,22)