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

Systemtic Name: 5-[[2-butyl-1,1,3-tris(oxidanylidene)-5-phenyl-1,2-thiazol-4-yl]amino]-1-benzofuran-2-carboxylic acid Openeye Name: 5-[(2-butyl-1,1,3-trioxo-5-phenyl-isothiazol-4-yl)amino]benzofuran-2-carboxylic acid CAS Name: 5-[(2-butyl-1,1,3-trioxo-5-phenyl-4-isothiazolyl)amino]-2-benzofurancarboxylic acid IUPAC Name: 5-[(2-butyl-1,1,3-trioxo-5-phenyl-1,2-thiazol-4-yl)amino]-1-benzofuran-2-carboxylic acid Traditional Name: 5-[(2-butyl-1,1,3-triketo-5-phenyl-isothiazol-4-yl)amino]coumarilic acid Formula: C22H20N2O6S MolecularWeight: 440.469

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O6S/c1-2-3-11-24-21(25)19(20(31(24,28)29)14-7-5-4-6-8-14)23-16-9-10-17-15(12-16)13-18(30-17)22(26)27/h4-10,12-13,23H,2-3,11H2,1H3,(H,26,27)