3-methylsulfonyl-4-[4-(2-quinolin-2-ylethanethioyl)phenoxy]benzoic acid

Systemtic Name: 3-methylsulfonyl-4-[4-(2-quinolin-2-ylethanethioyl)phenoxy]benzoic acid Openeye Name: 3-methylsulfonyl-4-[4-[2-(2-quinolyl)ethanethioyl]phenoxy]benzoic acid CAS Name: 3-methylsulfonyl-4-[4-[2-(2-quinolinyl)-1-sulfanylideneethyl]phenoxy]benzoic acid IUPAC Name: 3-methylsulfonyl-4-[4-(2-quinolin-2-ylethanethioyl)phenoxy]benzoic acid Traditional Name: 3-mesyl-4-[4-[2-(2-quinolyl)thioacetyl]phenoxy]benzoic acid Formula: C25H19NO5S2 MolecularWeight: 477.55206

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)OC2=CC=C(C=C2)C(=S)CC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)OC2=CC=C(C=C2)C(=S)CC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H19NO5S2/c1-33(29,30)24-14-18(25(27)28)9-13-22(24)31-20-11-7-17(8-12-20)23(32)15-19-10-6-16-4-2-3-5-21(16)26-19/h2-14H,15H2,1H3,(H,27,28)