(2-pyridin-2-ylpyridin-4-yl)methyl 3-[[3-oxidanylidene-3-(2-pyridin-2-ylpyridin-4-yl)oxy-propyl]disulfanyl]propanoate

Systemtic Name: (2-pyridin-2-ylpyridin-4-yl)methyl 3-[[3-oxidanylidene-3-(2-pyridin-2-ylpyridin-4-yl)oxy-propyl]disulfanyl]propanoate Openeye Name: [2-(2-pyridyl)-4-pyridyl]methyl 3-[[3-oxo-3-[[2-(2-pyridyl)-4-pyridyl]oxy]propyl]disulfanyl]propanoate CAS Name: 3-[[3-oxo-3-[[2-(2-pyridinyl)-4-pyridinyl]oxy]propyl]disulfanyl]propanoic acid [2-(2-pyridinyl)-4-pyridinyl]methyl ester IUPAC Name: (2-pyridin-2-ylpyridin-4-yl)methyl 3-[[3-oxo-3-(2-pyridin-2-ylpyridin-4-yl)oxypropyl]disulfanyl]propanoate Traditional Name: 3-[[3-keto-3-[[2-(2-pyridyl)-4-pyridyl]oxy]propyl]disulfanyl]propionic acid [2-(2-pyridyl)-4-pyridyl]methyl ester Formula: C27H24N4O4S2 MolecularWeight: 532.63386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=NC=CC(=C2)COC(=O)CCSSCCC(=O)OC3=CC(=NC=C3)C4=CC=CC=N4

Isomeric SMILES

C1=CC=NC(=C1)C2=NC=CC(=C2)COC(=O)CCSSCCC(=O)OC3=CC(=NC=C3)C4=CC=CC=N4

InChI

InChI=1S/C27H24N4O4S2/c32-26(34-19-20-7-13-30-24(17-20)22-5-1-3-11-28-22)9-15-36-37-16-10-27(33)35-21-8-14-31-25(18-21)23-6-2-4-12-29-23/h1-8,11-14,17-18H,9-10,15-16,19H2