ethyl 2-[[5-(4-methyl-2-nitro-phenyl)furan-2-yl]carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[[5-(4-methyl-2-nitro-phenyl)furan-2-yl]carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[[5-(4-methyl-2-nitro-phenyl)furan-2-carbonyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[5-(4-methyl-2-nitrophenyl)-2-furanyl]-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[5-(4-methyl-2-nitrophenyl)furan-2-carbonyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[5-(4-methyl-2-nitro-phenyl)-2-furoyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C22H17N3O6S MolecularWeight: 451.45188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N3O6S/c1-3-30-21(27)13-5-7-15-19(11-13)32-22(23-15)24-20(26)18-9-8-17(31-18)14-6-4-12(2)10-16(14)25(28)29/h4-11H,3H2,1-2H3,(H,23,24,26)