3-(6-oxidanyl-4-oxidanylidene-3-phenethylsulfanyl-2-phenyl-3H-pyran-2-yl)propanoic acid

Systemtic Name: 3-(6-oxidanyl-4-oxidanylidene-3-phenethylsulfanyl-2-phenyl-3H-pyran-2-yl)propanoic acid Openeye Name: 3-(6-hydroxy-4-oxo-3-phenethylsulfanyl-2-phenyl-3H-pyran-2-yl)propanoic acid CAS Name: 3-[6-hydroxy-4-oxo-3-(phenethylthio)-2-phenyl-3H-pyran-2-yl]propanoic acid IUPAC Name: 3-(6-hydroxy-4-oxo-3-phenethylsulfanyl-2-phenyl-3H-pyran-2-yl)propanoic acid Traditional Name: 3-[6-hydroxy-4-keto-3-(phenethylthio)-2-phenyl-3H-pyran-2-yl]propionic acid Formula: C22H22O5S MolecularWeight: 398.47208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2C(=O)C=C(OC2(CCC(=O)O)C3=CC=CC=C3)O

Isomeric SMILES

C1=CC=C(C=C1)CCSC2C(=O)C=C(OC2(CCC(=O)O)C3=CC=CC=C3)O

InChI

InChI=1S/C22H22O5S/c23-18-15-20(26)27-22(13-11-19(24)25,17-9-5-2-6-10-17)21(18)28-14-12-16-7-3-1-4-8-16/h1-10,15,21,26H,11-14H2,(H,24,25)