[2-[4-[(3-phenyl-3-phenylsulfanyl-propanoyl)oxymethyl]pyridin-2-yl]pyridin-4-yl]methyl 3-phenyl-3-phenylsulfanyl-propanoate

Systemtic Name: [2-[4-[(3-phenyl-3-phenylsulfanyl-propanoyl)oxymethyl]pyridin-2-yl]pyridin-4-yl]methyl 3-phenyl-3-phenylsulfanyl-propanoate Openeye Name: [2-[4-[(3-phenyl-3-phenylsulfanyl-propanoyl)oxymethyl]-2-pyridyl]-4-pyridyl]methyl 3-phenyl-3-phenylsulfanyl-propanoate CAS Name: 3-phenyl-3-(phenylthio)propanoic acid [2-[4-[[1-oxo-3-phenyl-3-(phenylthio)propoxy]methyl]-2-pyridinyl]-4-pyridinyl]methyl ester IUPAC Name: [2-[4-[(3-phenyl-3-phenylsulfanylpropanoyl)oxymethyl]pyridin-2-yl]pyridin-4-yl]methyl 3-phenyl-3-phenylsulfanylpropanoate Traditional Name: 3-phenyl-3-(phenylthio)propionic acid [2-[4-[[3-phenyl-3-(phenylthio)propanoyl]oxymethyl]-2-pyridyl]-4-pyridyl]methyl ester Formula: C42H36N2O4S2 MolecularWeight: 696.87624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)OCC2=CC(=NC=C2)C3=NC=CC(=C3)COC(=O)CC(C4=CC=CC=C4)SC5=CC=CC=C5)SC6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)OCC2=CC(=NC=C2)C3=NC=CC(=C3)COC(=O)CC(C4=CC=CC=C4)SC5=CC=CC=C5)SC6=CC=CC=C6

InChI

InChI=1S/C42H36N2O4S2/c45-41(27-39(33-13-5-1-6-14-33)49-35-17-9-3-10-18-35)47-29-31-21-23-43-37(25-31)38-26-32(22-24-44-38)30-48-42(46)28-40(34-15-7-2-8-16-34)50-36-19-11-4-12-20-36/h1-26,39-40H,27-30H2