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

Systemtic Name: 3-[2-acetamido-4-(2-methyl-1,3-thiazol-4-yl)phenoxy]sulfonyl-4-methoxy-benzoic acid Openeye Name: 3-[2-acetamido-4-(2-methylthiazol-4-yl)phenoxy]sulfonyl-4-methoxy-benzoic acid CAS Name: 3-[2-acetamido-4-(2-methyl-4-thiazolyl)phenoxy]sulfonyl-4-methoxybenzoic acid IUPAC Name: 3-[2-acetamido-4-(2-methyl-1,3-thiazol-4-yl)phenoxy]sulfonyl-4-methoxybenzoic acid Traditional Name: 3-[2-acetamido-4-(2-methylthiazol-4-yl)phenoxy]sulfonyl-4-methoxy-benzoic acid Formula: C20H18N2O7S2 MolecularWeight: 462.49612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC(=C(C=C2)OS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)OC)NC(=O)C

Isomeric SMILES

CC1=NC(=CS1)C2=CC(=C(C=C2)OS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)OC)NC(=O)C

InChI

InChI=1S/C20H18N2O7S2/c1-11(23)21-15-8-13(16-10-30-12(2)22-16)4-6-17(15)29-31(26,27)19-9-14(20(24)25)5-7-18(19)28-3/h4-10H,1-3H3,(H,21,23)(H,24,25)