[2-[2-[(4-nitrophenyl)amino]ethylamino]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [2-[2-[(4-nitrophenyl)amino]ethylamino]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-[2-(4-nitroanilino)ethylamino]-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-keto-2-[2-(4-nitroanilino)ethylamino]ethyl] ester Formula: C18H16N4O5S MolecularWeight: 400.40844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCCNC(=O)COC(=O)C2=CC3=C(C=C2)N=CS3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NCCNC(=O)COC(=O)C2=CC3=C(C=C2)N=CS3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O5S/c23-17(20-8-7-19-13-2-4-14(5-3-13)22(25)26)10-27-18(24)12-1-6-15-16(9-12)28-11-21-15/h1-6,9,11,19H,7-8,10H2,(H,20,23)