hexyl 2-[(3-hexoxycarbonylpyridin-2-yl)disulfanyl]pyridine-3-carboxylate

Systemtic Name: hexyl 2-[(3-hexoxycarbonylpyridin-2-yl)disulfanyl]pyridine-3-carboxylate Openeye Name: hexyl 2-[(3-hexoxycarbonyl-2-pyridyl)disulfanyl]pyridine-3-carboxylate CAS Name: 2-[[3-[hexoxy(oxo)methyl]-2-pyridinyl]disulfanyl]-3-pyridinecarboxylic acid hexyl ester IUPAC Name: hexyl 2-[(3-hexoxycarbonylpyridin-2-yl)disulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(3-hexoxycarbonyl-2-pyridyl)disulfanyl]nicotinic acid hexyl ester Formula: C24H32N2O4S2 MolecularWeight: 476.65188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=C(N=CC=C1)SSC2=C(C=CC=N2)C(=O)OCCCCCC

Isomeric SMILES

CCCCCCOC(=O)C1=C(N=CC=C1)SSC2=C(C=CC=N2)C(=O)OCCCCCC

InChI

InChI=1S/C24H32N2O4S2/c1-3-5-7-9-17-29-23(27)19-13-11-15-25-21(19)31-32-22-20(14-12-16-26-22)24(28)30-18-10-8-6-4-2/h11-16H,3-10,17-18H2,1-2H3