methyl 10-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl]sulfanyl-10-oxidanylidene-decanoate

Systemtic Name: methyl 10-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl]sulfanyl-10-oxidanylidene-decanoate Openeye Name: methyl 10-[(E)-3-(octylamino)-3-oxo-prop-1-enyl]sulfanyl-10-oxo-decanoate CAS Name: 10-[[(E)-3-(octylamino)-3-oxoprop-1-enyl]thio]-10-oxodecanoic acid methyl ester IUPAC Name: methyl 10-[(E)-3-(octylamino)-3-oxoprop-1-enyl]sulfanyl-10-oxodecanoate Traditional Name: 10-keto-10-[[(E)-3-keto-3-(octylamino)prop-1-enyl]thio]capric acid methyl ester Formula: C22H39NO4S MolecularWeight: 413.61436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C=CSC(=O)CCCCCCCCC(=O)OC

Isomeric SMILES

CCCCCCCCNC(=O)/C=C/SC(=O)CCCCCCCCC(=O)OC

InChI

InChI=1S/C22H39NO4S/c1-3-4-5-6-11-14-18-23-20(24)17-19-28-22(26)16-13-10-8-7-9-12-15-21(25)27-2/h17,19H,3-16,18H2,1-2H3,(H,23,24)/b19-17+