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

Systemtic Name: 4-[[4-(3-oxidanylidene-4-propyl-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]sulfamoyl]benzoic acid Openeye Name: 4-[[4-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)thiazol-2-yl]sulfamoyl]benzoic acid CAS Name: 4-[[4-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)-2-thiazolyl]sulfamoyl]benzoic acid IUPAC Name: 4-[[4-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]sulfamoyl]benzoic acid Traditional Name: 4-[[4-(3-keto-4-propyl-1,4-benzoxazin-6-yl)thiazol-2-yl]sulfamoyl]benzoic acid Formula: C21H19N3O6S2 MolecularWeight: 473.52206

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)COC2=C1C=C(C=C2)C3=CSC(=N3)NS(=O)(=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CCCN1C(=O)COC2=C1C=C(C=C2)C3=CSC(=N3)NS(=O)(=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H19N3O6S2/c1-2-9-24-17-10-14(5-8-18(17)30-11-19(24)25)16-12-31-21(22-16)23-32(28,29)15-6-3-13(4-7-15)20(26)27/h3-8,10,12H,2,9,11H2,1H3,(H,22,23)(H,26,27)