butyl 2-[(4-methoxy-3-nitro-phenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: butyl 2-[(4-methoxy-3-nitro-phenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-[(4-methoxy-3-nitro-benzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(4-methoxy-3-nitrophenyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-[(4-methoxy-3-nitrobenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(4-methoxy-3-nitro-benzoyl)amino]-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C20H19N3O6S MolecularWeight: 429.44636

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(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O6S/c1-3-4-9-29-19(25)13-5-7-14-17(11-13)30-20(21-14)22-18(24)12-6-8-16(28-2)15(10-12)23(26)27/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,22,24)