5-[4-(5-ethanoyl-4-methyl-1,3-thiazol-2-yl)phenoxy]sulfonylthiophene-3-carboxylic acid

Systemtic Name: 5-[4-(5-ethanoyl-4-methyl-1,3-thiazol-2-yl)phenoxy]sulfonylthiophene-3-carboxylic acid Openeye Name: 5-[4-(5-acetyl-4-methyl-thiazol-2-yl)phenoxy]sulfonylthiophene-3-carboxylic acid CAS Name: 5-[4-(5-acetyl-4-methyl-2-thiazolyl)phenoxy]sulfonyl-3-thiophenecarboxylic acid IUPAC Name: 5-[4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)phenoxy]sulfonylthiophene-3-carboxylic acid Traditional Name: 5-[4-(5-acetyl-4-methyl-thiazol-2-yl)phenoxy]sulfonyl-3-thenoic acid Formula: C17H13NO6S3 MolecularWeight: 423.48322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=C(C=C2)OS(=O)(=O)C3=CC(=CS3)C(=O)O)C(=O)C

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=C(C=C2)OS(=O)(=O)C3=CC(=CS3)C(=O)O)C(=O)C

InChI

InChI=1S/C17H13NO6S3/c1-9-15(10(2)19)26-16(18-9)11-3-5-13(6-4-11)24-27(22,23)14-7-12(8-25-14)17(20)21/h3-8H,1-2H3,(H,20,21)