2-[[2-(2-octanoyloxyethylamino)-2-sulfanylidene-ethanethioyl]amino]ethyl octanoate

Systemtic Name: 2-[[2-(2-octanoyloxyethylamino)-2-sulfanylidene-ethanethioyl]amino]ethyl octanoate Openeye Name: 2-[[2-(2-octanoyloxyethylamino)-2-thioxo-ethanethioyl]amino]ethyl octanoate CAS Name: octanoic acid 2-[[2-[2-(1-oxooctoxy)ethylamino]-1,2-bis(sulfanylidene)ethyl]amino]ethyl ester IUPAC Name: 2-[[2-(2-octanoyloxyethylamino)-2-sulfanylideneethanethioyl]amino]ethyl octanoate Traditional Name: caprylic acid 2-[[2-(2-caprylyloxyethylamino)-2-thioxo-thioacetyl]amino]ethyl ester Formula: C22H40N2O4S2 MolecularWeight: 460.694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCCNC(=S)C(=S)NCCOC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCC(=O)OCCNC(=S)C(=S)NCCOC(=O)CCCCCCC

InChI

InChI=1S/C22H40N2O4S2/c1-3-5-7-9-11-13-19(25)27-17-15-23-21(29)22(30)24-16-18-28-20(26)14-12-10-8-6-4-2/h3-18H2,1-2H3,(H,23,29)(H,24,30)