2-[4-[5-(3-methyl-2-phenylsulfanyl-butyl)-6-oxidanyl-4-oxidanylidene-thiopyran-2-yl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[5-(3-methyl-2-phenylsulfanyl-butyl)-6-oxidanyl-4-oxidanylidene-thiopyran-2-yl]phenoxy]ethanoic acid Openeye Name: 2-[4-[6-hydroxy-5-(3-methyl-2-phenylsulfanyl-butyl)-4-oxo-thiopyran-2-yl]phenoxy]acetic acid CAS Name: 2-[4-[6-hydroxy-5-[3-methyl-2-(phenylthio)butyl]-4-oxo-2-thiopyranyl]phenoxy]acetic acid IUPAC Name: 2-[4-[6-hydroxy-5-(3-methyl-2-phenylsulfanylbutyl)-4-oxothiopyran-2-yl]phenoxy]acetic acid Traditional Name: 2-[4-[6-hydroxy-4-keto-5-[3-methyl-2-(phenylthio)butyl]thiopyran-2-yl]phenoxy]acetic acid Formula: C24H24O5S2 MolecularWeight: 456.57436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC1=C(SC(=CC1=O)C2=CC=C(C=C2)OCC(=O)O)O)SC3=CC=CC=C3

Isomeric SMILES

CC(C)C(CC1=C(SC(=CC1=O)C2=CC=C(C=C2)OCC(=O)O)O)SC3=CC=CC=C3

InChI

InChI=1S/C24H24O5S2/c1-15(2)21(30-18-6-4-3-5-7-18)12-19-20(25)13-22(31-24(19)28)16-8-10-17(11-9-16)29-14-23(26)27/h3-11,13,15,21,28H,12,14H2,1-2H3,(H,26,27)