[2-oxidanylidene-2-[phenyl(prop-2-enyl)amino]ethyl] 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[phenyl(prop-2-enyl)amino]ethyl] 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [2-(N-allylanilino)-2-oxo-ethyl] 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [2-oxo-2-(N-prop-2-enylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(N-prop-2-enylanilino)ethyl] 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [2-(N-allylanilino)-2-keto-ethyl] ester Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OCC(=O)N(CC=C)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)OCC(=O)N(CC=C)C2=CC=CC=C2)[N+](=O)[O-]

InChI

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