[2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl] 4-tert-butyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl] 4-tert-butyl-3-nitro-benzoate Openeye Name: [2-(2-allylsulfanylanilino)-2-oxo-ethyl] 4-tert-butyl-3-nitro-benzoate CAS Name: 4-tert-butyl-3-nitrobenzoic acid [2-oxo-2-[2-(prop-2-enylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl] 4-tert-butyl-3-nitrobenzoate Traditional Name: 4-tert-butyl-3-nitro-benzoic acid [2-[2-(allylthio)anilino]-2-keto-ethyl] ester Formula: C22H24N2O5S MolecularWeight: 428.50136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O5S/c1-5-12-30-19-9-7-6-8-17(19)23-20(25)14-29-21(26)15-10-11-16(22(2,3)4)18(13-15)24(27)28/h5-11,13H,1,12,14H2,2-4H3,(H,23,25)