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

Systemtic Name: 3-[4-(5-ethanoyl-4-methyl-1,3-thiazol-2-yl)phenoxy]sulfonyl-4,5-dimethyl-benzoic acid Openeye Name: 3-[4-(5-acetyl-4-methyl-thiazol-2-yl)phenoxy]sulfonyl-4,5-dimethyl-benzoic acid CAS Name: 3-[4-(5-acetyl-4-methyl-2-thiazolyl)phenoxy]sulfonyl-4,5-dimethylbenzoic acid IUPAC Name: 3-[4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)phenoxy]sulfonyl-4,5-dimethylbenzoic acid Traditional Name: 3-[4-(5-acetyl-4-methyl-thiazol-2-yl)phenoxy]sulfonyl-4,5-dimethyl-benzoic acid Formula: C21H19NO6S2 MolecularWeight: 445.50866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)OC2=CC=C(C=C2)C3=NC(=C(S3)C(=O)C)C)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)OC2=CC=C(C=C2)C3=NC(=C(S3)C(=O)C)C)C

InChI

InChI=1S/C21H19NO6S2/c1-11-9-16(21(24)25)10-18(12(11)2)30(26,27)28-17-7-5-15(6-8-17)20-22-13(3)19(29-20)14(4)23/h5-10H,1-4H3,(H,24,25)