butyl 2-[[5-(3-nitrophenyl)furan-2-yl]carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: butyl 2-[[5-(3-nitrophenyl)furan-2-yl]carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-[[5-(3-nitrophenyl)furan-2-carbonyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[5-(3-nitrophenyl)-2-furanyl]-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-[[5-(3-nitrophenyl)furan-2-carbonyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[5-(3-nitrophenyl)-2-furoyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C23H19N3O6S MolecularWeight: 465.47846

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(O3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H19N3O6S/c1-2-3-11-31-22(28)15-7-8-17-20(13-15)33-23(24-17)25-21(27)19-10-9-18(32-19)14-5-4-6-16(12-14)26(29)30/h4-10,12-13H,2-3,11H2,1H3,(H,24,25,27)