butyl 2-[(2-nitrophenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: butyl 2-[(2-nitrophenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-[(2-nitrobenzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(2-nitrophenyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-[(2-nitrobenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(2-nitrobenzoyl)amino]-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C19H17N3O5S MolecularWeight: 399.42038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O5S/c1-2-3-10-27-18(24)12-8-9-14-16(11-12)28-19(20-14)21-17(23)13-6-4-5-7-15(13)22(25)26/h4-9,11H,2-3,10H2,1H3,(H,20,21,23)