4-chloranyl-3-[4-(5-ethanoyl-4-methyl-1,3-thiazol-2-yl)phenoxy]sulfonyl-benzoic acid

Systemtic Name: 4-chloranyl-3-[4-(5-ethanoyl-4-methyl-1,3-thiazol-2-yl)phenoxy]sulfonyl-benzoic acid Openeye Name: 3-[4-(5-acetyl-4-methyl-thiazol-2-yl)phenoxy]sulfonyl-4-chloro-benzoic acid CAS Name: 3-[4-(5-acetyl-4-methyl-2-thiazolyl)phenoxy]sulfonyl-4-chlorobenzoic acid IUPAC Name: 3-[4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)phenoxy]sulfonyl-4-chlorobenzoic acid Traditional Name: 3-[4-(5-acetyl-4-methyl-thiazol-2-yl)phenoxy]sulfonyl-4-chloro-benzoic acid Formula: C19H14ClNO6S2 MolecularWeight: 451.90056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14ClNO6S2/c1-10-17(11(2)22)28-18(21-10)12-3-6-14(7-4-12)27-29(25,26)16-9-13(19(23)24)5-8-15(16)20/h3-9H,1-2H3,(H,23,24)