4-[[4-(4-ethyl-3-oxidanylidene-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]sulfamoyl]benzoic acid

Systemtic Name: 4-[[4-(4-ethyl-3-oxidanylidene-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]sulfamoyl]benzoic acid Openeye Name: 4-[[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)thiazol-2-yl]sulfamoyl]benzoic acid CAS Name: 4-[[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-2-thiazolyl]sulfamoyl]benzoic acid IUPAC Name: 4-[[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]sulfamoyl]benzoic acid Traditional Name: 4-[[4-(4-ethyl-3-keto-1,4-benzoxazin-6-yl)thiazol-2-yl]sulfamoyl]benzoic acid Formula: C20H17N3O6S2 MolecularWeight: 459.49548

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)COC2=C1C=C(C=C2)C3=CSC(=N3)NS(=O)(=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CCN1C(=O)COC2=C1C=C(C=C2)C3=CSC(=N3)NS(=O)(=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C20H17N3O6S2/c1-2-23-16-9-13(5-8-17(16)29-10-18(23)24)15-11-30-20(21-15)22-31(27,28)14-6-3-12(4-7-14)19(25)26/h3-9,11H,2,10H2,1H3,(H,21,22)(H,25,26)