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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=NC=C(C=C2)COC(=O)CCSSCCC(=O)OCC3=CN=C(C=C3)C4=CC=CC=N4

Isomeric SMILES

C1=CC=NC(=C1)C2=NC=C(C=C2)COC(=O)CCSSCCC(=O)OCC3=CN=C(C=C3)C4=CC=CC=N4

InChI

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