2-[4-[3,3-bis(4-pyridin-3-ylphenyl)prop-2-enylsulfanyl]-2-methyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[3,3-bis(4-pyridin-3-ylphenyl)prop-2-enylsulfanyl]-2-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[3,3-bis[4-(3-pyridyl)phenyl]allylsulfanyl]-2-methyl-phenoxy]acetic acid CAS Name: 2-[4-[3,3-bis[4-(3-pyridinyl)phenyl]prop-2-enylthio]-2-methylphenoxy]acetic acid IUPAC Name: 2-[4-[3,3-bis(4-pyridin-3-ylphenyl)prop-2-enylsulfanyl]-2-methylphenoxy]acetic acid Traditional Name: 2-[4-[3,3-bis[4-(3-pyridyl)phenyl]allylthio]-2-methyl-phenoxy]acetic acid Formula: C34H28N2O3S MolecularWeight: 544.66272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SCC=C(C2=CC=C(C=C2)C3=CN=CC=C3)C4=CC=C(C=C4)C5=CN=CC=C5)OCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)SCC=C(C2=CC=C(C=C2)C3=CN=CC=C3)C4=CC=C(C=C4)C5=CN=CC=C5)OCC(=O)O

InChI

InChI=1S/C34H28N2O3S/c1-24-20-31(14-15-33(24)39-23-34(37)38)40-19-16-32(27-10-6-25(7-11-27)29-4-2-17-35-21-29)28-12-8-26(9-13-28)30-5-3-18-36-22-30/h2-18,20-22H,19,23H2,1H3,(H,37,38)