2-[3-methyl-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-2-yl]-5-phenyl-pentanoic acid

Systemtic Name: 2-[3-methyl-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-2-yl]-5-phenyl-pentanoic acid Openeye Name: 2-(3-methyl-1,1-dioxo-2,3-dihydrobenzothiophen-2-yl)-5-phenyl-pentanoic acid CAS Name: 2-(3-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)-5-phenylpentanoic acid IUPAC Name: 2-(3-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)-5-phenylpentanoic acid Traditional Name: 2-(1,1-diketo-3-methyl-2,3-dihydrobenzothiophen-2-yl)-5-phenyl-valeric acid Formula: C20H22O4S MolecularWeight: 358.45128

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(S(=O)(=O)C2=CC=CC=C12)C(CCCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1C(S(=O)(=O)C2=CC=CC=C12)C(CCCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H22O4S/c1-14-16-11-5-6-13-18(16)25(23,24)19(14)17(20(21)22)12-7-10-15-8-3-2-4-9-15/h2-6,8-9,11,13-14,17,19H,7,10,12H2,1H3,(H,21,22)