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

Systemtic Name: 5-[2-acetamido-4-(2-methyl-1,3-thiazol-4-yl)phenoxy]sulfonyl-2-methyl-benzoic acid Openeye Name: 5-[2-acetamido-4-(2-methylthiazol-4-yl)phenoxy]sulfonyl-2-methyl-benzoic acid CAS Name: 5-[2-acetamido-4-(2-methyl-4-thiazolyl)phenoxy]sulfonyl-2-methylbenzoic acid IUPAC Name: 5-[2-acetamido-4-(2-methyl-1,3-thiazol-4-yl)phenoxy]sulfonyl-2-methylbenzoic acid Traditional Name: 5-[2-acetamido-4-(2-methylthiazol-4-yl)phenoxy]sulfonyl-2-methyl-benzoic acid Formula: C20H18N2O6S2 MolecularWeight: 446.49672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C3=CSC(=N3)C)NC(=O)C)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C3=CSC(=N3)C)NC(=O)C)C(=O)O

InChI

InChI=1S/C20H18N2O6S2/c1-11-4-6-15(9-16(11)20(24)25)30(26,27)28-19-7-5-14(8-17(19)21-12(2)23)18-10-29-13(3)22-18/h4-10H,1-3H3,(H,21,23)(H,24,25)