[2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl] 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl] 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [2-(N-isopropylanilino)-2-oxo-ethyl] 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [2-oxo-2-(N-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(N-propan-2-ylanilino)ethyl] 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [2-(N-isopropylanilino)-2-keto-ethyl] ester Formula: C20H18N2O5S MolecularWeight: 398.43232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=CC=C1)C(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)N(C1=CC=CC=C1)C(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O5S/c1-13(2)21(15-6-4-3-5-7-15)19(23)12-27-20(24)18-11-14-10-16(22(25)26)8-9-17(14)28-18/h3-11,13H,12H2,1-2H3