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

Systemtic Name: ethyl 2-[[5-(phenylsulfonyl)furan-2-yl]carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[[5-(benzenesulfonyl)furan-2-carbonyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[5-(benzenesulfonyl)-2-furanyl]-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[5-(benzenesulfonyl)furan-2-carbonyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(5-besyl-2-furoyl)amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H16N2O6S2 MolecularWeight: 456.49154

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)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(O3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H16N2O6S2/c1-2-28-20(25)13-8-9-15-17(12-13)30-21(22-15)23-19(24)16-10-11-18(29-16)31(26,27)14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H,22,23,24)