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

Systemtic Name: 2-[4-[3,3-bis(4-pyridin-3-ylphenyl)prop-2-enylsulfanyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[3,3-bis[4-(3-pyridyl)phenyl]allylsulfanyl]phenoxy]acetic acid CAS Name: 2-[4-[3,3-bis[4-(3-pyridinyl)phenyl]prop-2-enylthio]phenoxy]acetic acid IUPAC Name: 2-[4-[3,3-bis(4-pyridin-3-ylphenyl)prop-2-enylsulfanyl]phenoxy]acetic acid Traditional Name: 2-[4-[3,3-bis[4-(3-pyridyl)phenyl]allylthio]phenoxy]acetic acid Formula: C33H26N2O3S MolecularWeight: 530.63614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=CC=C(C=C2)C(=CCSC3=CC=C(C=C3)OCC(=O)O)C4=CC=C(C=C4)C5=CN=CC=C5

Isomeric SMILES

C1=CC(=CN=C1)C2=CC=C(C=C2)C(=CCSC3=CC=C(C=C3)OCC(=O)O)C4=CC=C(C=C4)C5=CN=CC=C5

InChI

InChI=1S/C33H26N2O3S/c36-33(37)23-38-30-13-15-31(16-14-30)39-20-17-32(26-9-5-24(6-10-26)28-3-1-18-34-21-28)27-11-7-25(8-12-27)29-4-2-19-35-22-29/h1-19,21-22H,20,23H2,(H,36,37)