[2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: [2-(2-allylsulfanylanilino)-2-oxo-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid [2-oxo-2-[2-(prop-2-enylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl] 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid [2-[2-(allylthio)anilino]-2-keto-ethyl] ester Formula: C17H17N3O5S MolecularWeight: 375.39898

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OCC(=O)NC2=CC=CC=C2SCC=C)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)OCC(=O)NC2=CC=CC=C2SCC=C)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O5S/c1-3-8-26-15-7-5-4-6-13(15)18-16(21)11-25-17(22)14-9-12(20(23)24)10-19(14)2/h3-7,9-10H,1,8,11H2,2H3,(H,18,21)