2-[4-[4-(phenylmethyl)sulfonylphenyl]-1,3-thiazol-2-yl]ethanoic acid

Systemtic Name: 2-[4-[4-(phenylmethyl)sulfonylphenyl]-1,3-thiazol-2-yl]ethanoic acid Openeye Name: 2-[4-(4-benzylsulfonylphenyl)thiazol-2-yl]acetic acid CAS Name: 2-[4-[4-(phenylmethyl)sulfonylphenyl]-2-thiazolyl]acetic acid IUPAC Name: 2-[4-(4-benzylsulfonylphenyl)-1,3-thiazol-2-yl]acetic acid Traditional Name: 2-[4-(4-benzylsulfonylphenyl)thiazol-2-yl]acetic acid Formula: C18H15NO4S2 MolecularWeight: 373.446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)CC(=O)O

InChI

InChI=1S/C18H15NO4S2/c20-18(21)10-17-19-16(11-24-17)14-6-8-15(9-7-14)25(22,23)12-13-4-2-1-3-5-13/h1-9,11H,10,12H2,(H,20,21)