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

Systemtic Name: 3-[4-(5-ethanoyl-4-methyl-1,3-thiazol-2-yl)phenoxy]sulfonyl-4-methoxy-benzoic acid Openeye Name: 3-[4-(5-acetyl-4-methyl-thiazol-2-yl)phenoxy]sulfonyl-4-methoxy-benzoic acid CAS Name: 3-[4-(5-acetyl-4-methyl-2-thiazolyl)phenoxy]sulfonyl-4-methoxybenzoic acid IUPAC Name: 3-[4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)phenoxy]sulfonyl-4-methoxybenzoic acid Traditional Name: 3-[4-(5-acetyl-4-methyl-thiazol-2-yl)phenoxy]sulfonyl-4-methoxy-benzoic acid Formula: C20H17NO7S2 MolecularWeight: 447.48148

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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)OC)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)OC)C(=O)C

InChI

InChI=1S/C20H17NO7S2/c1-11-18(12(2)22)29-19(21-11)13-4-7-15(8-5-13)28-30(25,26)17-10-14(20(23)24)6-9-16(17)27-3/h4-10H,1-3H3,(H,23,24)