2-[4-[5-methyl-2-(phenylmethyl)sulfonyl-phenyl]-1,3-thiazol-2-yl]ethanoic acid

Systemtic Name: 2-[4-[5-methyl-2-(phenylmethyl)sulfonyl-phenyl]-1,3-thiazol-2-yl]ethanoic acid Openeye Name: 2-[4-(2-benzylsulfonyl-5-methyl-phenyl)thiazol-2-yl]acetic acid CAS Name: 2-[4-[5-methyl-2-(phenylmethyl)sulfonylphenyl]-2-thiazolyl]acetic acid IUPAC Name: 2-[4-(2-benzylsulfonyl-5-methylphenyl)-1,3-thiazol-2-yl]acetic acid Traditional Name: 2-[4-(2-benzylsulfonyl-5-methyl-phenyl)thiazol-2-yl]acetic acid Formula: C19H17NO4S2 MolecularWeight: 387.47258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)CC2=CC=CC=C2)C3=CSC(=N3)CC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)CC2=CC=CC=C2)C3=CSC(=N3)CC(=O)O

InChI

InChI=1S/C19H17NO4S2/c1-13-7-8-17(26(23,24)12-14-5-3-2-4-6-14)15(9-13)16-11-25-18(20-16)10-19(21)22/h2-9,11H,10,12H2,1H3,(H,21,22)