2-[7-(4-methylsulfonylphenyl)carbonyl-2,3-dihydro-1-benzothiophen-5-yl]ethanoic acid

Systemtic Name: 2-[7-(4-methylsulfonylphenyl)carbonyl-2,3-dihydro-1-benzothiophen-5-yl]ethanoic acid Openeye Name: 2-[7-(4-methylsulfonylbenzoyl)-2,3-dihydrobenzothiophen-5-yl]acetic acid CAS Name: 2-[7-[(4-methylsulfonylphenyl)-oxomethyl]-2,3-dihydro-1-benzothiophen-5-yl]acetic acid IUPAC Name: 2-[7-(4-methylsulfonylbenzoyl)-2,3-dihydro-1-benzothiophen-5-yl]acetic acid Traditional Name: 2-[7-(4-mesylbenzoyl)-2,3-dihydrobenzothiophen-5-yl]acetic acid Formula: C18H16O5S2 MolecularWeight: 376.44664

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)C2=CC(=CC3=C2SCC3)CC(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)C2=CC(=CC3=C2SCC3)CC(=O)O

InChI

InChI=1S/C18H16O5S2/c1-25(22,23)14-4-2-12(3-5-14)17(21)15-9-11(10-16(19)20)8-13-6-7-24-18(13)15/h2-5,8-9H,6-7,10H2,1H3,(H,19,20)