3-[1-[4-(6-oxidanyl-4-oxidanylidene-5-phenethylsulfanyl-2,3-dihydropyran-2-yl)phenyl]-5-phenyl-pyrrol-2-yl]propanoic acid

Systemtic Name: 3-[1-[4-(6-oxidanyl-4-oxidanylidene-5-phenethylsulfanyl-2,3-dihydropyran-2-yl)phenyl]-5-phenyl-pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-[4-(6-hydroxy-4-oxo-5-phenethylsulfanyl-2,3-dihydropyran-2-yl)phenyl]-5-phenyl-pyrrol-2-yl]propanoic acid CAS Name: 3-[1-[4-[6-hydroxy-4-oxo-5-(phenethylthio)-2,3-dihydropyran-2-yl]phenyl]-5-phenyl-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-[4-(6-hydroxy-4-oxo-5-phenethylsulfanyl-2,3-dihydropyran-2-yl)phenyl]-5-phenylpyrrol-2-yl]propanoic acid Traditional Name: 3-[1-[4-[6-hydroxy-4-keto-5-(phenethylthio)-2,3-dihydropyran-2-yl]phenyl]-5-phenyl-pyrrol-2-yl]propionic acid Formula: C32H29NO5S MolecularWeight: 539.64136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=C(C1=O)SCCC2=CC=CC=C2)O)C3=CC=C(C=C3)N4C(=CC=C4C5=CC=CC=C5)CCC(=O)O

Isomeric SMILES

C1C(OC(=C(C1=O)SCCC2=CC=CC=C2)O)C3=CC=C(C=C3)N4C(=CC=C4C5=CC=CC=C5)CCC(=O)O

InChI

InChI=1S/C32H29NO5S/c34-28-21-29(38-32(37)31(28)39-20-19-22-7-3-1-4-8-22)24-11-13-25(14-12-24)33-26(16-18-30(35)36)15-17-27(33)23-9-5-2-6-10-23/h1-15,17,29,37H,16,18-21H2,(H,35,36)