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

Systemtic Name: 3-[2-acetamido-4-(2-methyl-1,3-thiazol-4-yl)phenoxy]sulfonyl-4-chloranyl-benzoic acid Openeye Name: 3-[2-acetamido-4-(2-methylthiazol-4-yl)phenoxy]sulfonyl-4-chloro-benzoic acid CAS Name: 3-[2-acetamido-4-(2-methyl-4-thiazolyl)phenoxy]sulfonyl-4-chlorobenzoic acid IUPAC Name: 3-[2-acetamido-4-(2-methyl-1,3-thiazol-4-yl)phenoxy]sulfonyl-4-chlorobenzoic acid Traditional Name: 3-[2-acetamido-4-(2-methylthiazol-4-yl)phenoxy]sulfonyl-4-chloro-benzoic acid Formula: C19H15ClN2O6S2 MolecularWeight: 466.9152

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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)Cl)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C19H15ClN2O6S2/c1-10(23)21-15-7-12(16-9-29-11(2)22-16)4-6-17(15)28-30(26,27)18-8-13(19(24)25)3-5-14(18)20/h3-9H,1-2H3,(H,21,23)(H,24,25)