(6-pyridin-2-ylpyridin-2-yl)methyl 3-[[3-oxidanylidene-3-[(6-pyridin-2-ylpyridin-2-yl)methoxy]propyl]disulfanyl]propanoate

Systemtic Name: (6-pyridin-2-ylpyridin-2-yl)methyl 3-[[3-oxidanylidene-3-[(6-pyridin-2-ylpyridin-2-yl)methoxy]propyl]disulfanyl]propanoate Openeye Name: [6-(2-pyridyl)-2-pyridyl]methyl 3-[[3-oxo-3-[[6-(2-pyridyl)-2-pyridyl]methoxy]propyl]disulfanyl]propanoate CAS Name: 3-[[3-oxo-3-[[6-(2-pyridinyl)-2-pyridinyl]methoxy]propyl]disulfanyl]propanoic acid [6-(2-pyridinyl)-2-pyridinyl]methyl ester IUPAC Name: (6-pyridin-2-ylpyridin-2-yl)methyl 3-[[3-oxo-3-[(6-pyridin-2-ylpyridin-2-yl)methoxy]propyl]disulfanyl]propanoate Traditional Name: 3-[[3-keto-3-[[6-(2-pyridyl)-2-pyridyl]methoxy]propyl]disulfanyl]propionic acid [6-(2-pyridyl)-2-pyridyl]methyl ester Formula: C28H26N4O4S2 MolecularWeight: 546.66044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=NC(=CC=C2)COC(=O)CCSSCCC(=O)OCC3=CC=CC(=N3)C4=CC=CC=N4

Isomeric SMILES

C1=CC=NC(=C1)C2=NC(=CC=C2)COC(=O)CCSSCCC(=O)OCC3=CC=CC(=N3)C4=CC=CC=N4

InChI

InChI=1S/C28H26N4O4S2/c33-27(35-19-21-7-5-11-25(31-21)23-9-1-3-15-29-23)13-17-37-38-18-14-28(34)36-20-22-8-6-12-26(32-22)24-10-2-4-16-30-24/h1-12,15-16H,13-14,17-20H2