ethyl 3-[6-[(3-ethoxy-3-oxidanylidene-propyl)sulfanylcarbonylamino]hexylcarbamoylsulfanyl]propanoate

Systemtic Name: ethyl 3-[6-[(3-ethoxy-3-oxidanylidene-propyl)sulfanylcarbonylamino]hexylcarbamoylsulfanyl]propanoate Openeye Name: ethyl 3-[6-[(3-ethoxy-3-oxo-propyl)sulfanylcarbonylamino]hexylcarbamoylsulfanyl]propanoate CAS Name: 3-[[[6-[[[(3-ethoxy-3-oxopropyl)thio]-oxomethyl]amino]hexylamino]-oxomethyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 3-[6-[(3-ethoxy-3-oxopropyl)sulfanylcarbonylamino]hexylcarbamoylsulfanyl]propanoate Traditional Name: 3-[6-[[(3-ethoxy-3-keto-propyl)thio]carbonylamino]hexylcarbamoylthio]propionic acid ethyl ester Formula: C18H32N2O6S2 MolecularWeight: 436.58648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCSC(=O)NCCCCCCNC(=O)SCCC(=O)OCC

Isomeric SMILES

CCOC(=O)CCSC(=O)NCCCCCCNC(=O)SCCC(=O)OCC

InChI

InChI=1S/C18H32N2O6S2/c1-3-25-15(21)9-13-27-17(23)19-11-7-5-6-8-12-20-18(24)28-14-10-16(22)26-4-2/h3-14H2,1-2H3,(H,19,23)(H,20,24)