methyl 6-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl]sulfanyl-6-oxidanylidene-hexanoate

Systemtic Name: methyl 6-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl]sulfanyl-6-oxidanylidene-hexanoate Openeye Name: methyl 6-[(E)-3-(octylamino)-3-oxo-prop-1-enyl]sulfanyl-6-oxo-hexanoate CAS Name: 6-[[(E)-3-(octylamino)-3-oxoprop-1-enyl]thio]-6-oxohexanoic acid methyl ester IUPAC Name: methyl 6-[(E)-3-(octylamino)-3-oxoprop-1-enyl]sulfanyl-6-oxohexanoate Traditional Name: 6-keto-6-[[(E)-3-keto-3-(octylamino)prop-1-enyl]thio]hexanoic acid methyl ester Formula: C18H31NO4S MolecularWeight: 357.50804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H31NO4S/c1-3-4-5-6-7-10-14-19-16(20)13-15-24-18(22)12-9-8-11-17(21)23-2/h13,15H,3-12,14H2,1-2H3,(H,19,20)/b15-13+