tert-butyl 5-[[2-butyl-1,1,3-tris(oxidanylidene)-5-phenyl-1,2-thiazol-4-yl]amino]-1-benzofuran-2-carboxylate

Systemtic Name: tert-butyl 5-[[2-butyl-1,1,3-tris(oxidanylidene)-5-phenyl-1,2-thiazol-4-yl]amino]-1-benzofuran-2-carboxylate Openeye Name: tert-butyl 5-[(2-butyl-1,1,3-trioxo-5-phenyl-isothiazol-4-yl)amino]benzofuran-2-carboxylate CAS Name: 5-[(2-butyl-1,1,3-trioxo-5-phenyl-4-isothiazolyl)amino]-2-benzofurancarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[(2-butyl-1,1,3-trioxo-5-phenyl-1,2-thiazol-4-yl)amino]-1-benzofuran-2-carboxylate Traditional Name: 5-[(2-butyl-1,1,3-triketo-5-phenyl-isothiazol-4-yl)amino]coumarilic acid tert-butyl ester Formula: C26H28N2O6S MolecularWeight: 496.57532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=C(S1(=O)=O)C2=CC=CC=C2)NC3=CC4=C(C=C3)OC(=C4)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCN1C(=O)C(=C(S1(=O)=O)C2=CC=CC=C2)NC3=CC4=C(C=C3)OC(=C4)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H28N2O6S/c1-5-6-14-28-24(29)22(23(35(28,31)32)17-10-8-7-9-11-17)27-19-12-13-20-18(15-19)16-21(33-20)25(30)34-26(2,3)4/h7-13,15-16,27H,5-6,14H2,1-4H3