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

Systemtic Name: 2-[ethyl-[2-[ethyl(2-octanoyloxyethyl)amino]-2-sulfanylidene-ethanethioyl]amino]ethyl octanoate Openeye Name: 2-[ethyl-[2-[ethyl(2-octanoyloxyethyl)amino]-2-thioxo-ethanethioyl]amino]ethyl octanoate CAS Name: octanoic acid 2-[ethyl-[2-[ethyl-[2-(1-oxooctoxy)ethyl]amino]-1,2-bis(sulfanylidene)ethyl]amino]ethyl ester IUPAC Name: 2-[ethyl-[2-[ethyl(2-octanoyloxyethyl)amino]-2-sulfanylideneethanethioyl]amino]ethyl octanoate Traditional Name: caprylic acid 2-[[2-[2-caprylyloxyethyl(ethyl)amino]-2-thioxo-thioacetyl]-ethyl-amino]ethyl ester Formula: C26H48N2O4S2 MolecularWeight: 516.80032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCCN(CC)C(=S)C(=S)N(CC)CCOC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCC(=O)OCCN(CC)C(=S)C(=S)N(CC)CCOC(=O)CCCCCCC

InChI

InChI=1S/C26H48N2O4S2/c1-5-9-11-13-15-17-23(29)31-21-19-27(7-3)25(33)26(34)28(8-4)20-22-32-24(30)18-16-14-12-10-6-2/h5-22H2,1-4H3