2-ethoxycarbonyl-7-(pyridin-2-yldisulfanyl)octanoate

Systemtic Name: 2-ethoxycarbonyl-7-(pyridin-2-yldisulfanyl)octanoate Openeye Name: 2-ethoxycarbonyl-7-(2-pyridyldisulfanyl)octanoate CAS Name: 2-ethoxycarbonyl-7-(2-pyridinyldisulfanyl)octanoate IUPAC Name: 2-ethoxycarbonyl-7-(pyridin-2-yldisulfanyl)octanoate Traditional Name: 2-carbethoxy-7-(2-pyridyldisulfanyl)caprylate Formula: C16H22NO4S2- MolecularWeight: 356.48018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCC(C)SSC1=CC=CC=N1)C(=O)[O-]

Isomeric SMILES

CCOC(=O)C(CCCCC(C)SSC1=CC=CC=N1)C(=O)[O-]

InChI

InChI=1S/C16H23NO4S2/c1-3-21-16(20)13(15(18)19)9-5-4-8-12(2)22-23-14-10-6-7-11-17-14/h6-7,10-13H,3-5,8-9H2,1-2H3,(H,18,19)/p-1