5-[5-[5-methyl-2-propan-2-yl-3-(pyridin-3-ylmethoxy)phenyl]sulfanyl-6-oxidanyl-4-oxidanylidene-2-phenyl-3H-pyran-2-yl]pentanoic acid

Systemtic Name: 5-[5-[5-methyl-2-propan-2-yl-3-(pyridin-3-ylmethoxy)phenyl]sulfanyl-6-oxidanyl-4-oxidanylidene-2-phenyl-3H-pyran-2-yl]pentanoic acid Openeye Name: 5-[6-hydroxy-5-[2-isopropyl-5-methyl-3-(3-pyridylmethoxy)phenyl]sulfanyl-4-oxo-2-phenyl-3H-pyran-2-yl]pentanoic acid CAS Name: 5-[6-hydroxy-5-[[5-methyl-2-propan-2-yl-3-(3-pyridinylmethoxy)phenyl]thio]-4-oxo-2-phenyl-3H-pyran-2-yl]pentanoic acid IUPAC Name: 5-[6-hydroxy-5-[5-methyl-2-propan-2-yl-3-(pyridin-3-ylmethoxy)phenyl]sulfanyl-4-oxo-2-phenyl-3H-pyran-2-yl]pentanoic acid Traditional Name: 5-[6-hydroxy-5-[[2-isopropyl-5-methyl-3-(3-pyridylmethoxy)phenyl]thio]-4-keto-2-phenyl-3H-pyran-2-yl]valeric acid Formula: C32H35NO6S MolecularWeight: 561.6884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)SC2=C(OC(CC2=O)(CCCCC(=O)O)C3=CC=CC=C3)O)C(C)C)OCC4=CN=CC=C4

Isomeric SMILES

CC1=CC(=C(C(=C1)SC2=C(OC(CC2=O)(CCCCC(=O)O)C3=CC=CC=C3)O)C(C)C)OCC4=CN=CC=C4

InChI

InChI=1S/C32H35NO6S/c1-21(2)29-26(38-20-23-10-9-15-33-19-23)16-22(3)17-27(29)40-30-25(34)18-32(39-31(30)37,14-8-7-13-28(35)36)24-11-5-4-6-12-24/h4-6,9-12,15-17,19,21,37H,7-8,13-14,18,20H2,1-3H3,(H,35,36)