2-[5-[5-(3-methyl-1-phenyl-butyl)sulfanyl-6-oxidanyl-4-oxidanylidene-pyran-2-yl]pyridin-2-yl]oxyethanoic acid

Systemtic Name: 2-[5-[5-(3-methyl-1-phenyl-butyl)sulfanyl-6-oxidanyl-4-oxidanylidene-pyran-2-yl]pyridin-2-yl]oxyethanoic acid Openeye Name: 2-[[5-[6-hydroxy-5-(3-methyl-1-phenyl-butyl)sulfanyl-4-oxo-pyran-2-yl]-2-pyridyl]oxy]acetic acid CAS Name: 2-[[5-[6-hydroxy-5-[(3-methyl-1-phenylbutyl)thio]-4-oxo-2-pyranyl]-2-pyridinyl]oxy]acetic acid IUPAC Name: 2-[5-[6-hydroxy-5-(3-methyl-1-phenylbutyl)sulfanyl-4-oxopyran-2-yl]pyridin-2-yl]oxyacetic acid Traditional Name: 2-[[5-[6-hydroxy-4-keto-5-[(3-methyl-1-phenyl-butyl)thio]pyran-2-yl]-2-pyridyl]oxy]acetic acid Formula: C23H23NO6S MolecularWeight: 441.49682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)SC2=C(OC(=CC2=O)C3=CN=C(C=C3)OCC(=O)O)O

Isomeric SMILES

CC(C)CC(C1=CC=CC=C1)SC2=C(OC(=CC2=O)C3=CN=C(C=C3)OCC(=O)O)O

InChI

InChI=1S/C23H23NO6S/c1-14(2)10-19(15-6-4-3-5-7-15)31-22-17(25)11-18(30-23(22)28)16-8-9-20(24-12-16)29-13-21(26)27/h3-9,11-12,14,19,28H,10,13H2,1-2H3,(H,26,27)