methyl 9-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl]sulfanyl-9-oxidanylidene-nonanoate

Systemtic Name: methyl 9-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl]sulfanyl-9-oxidanylidene-nonanoate Openeye Name: methyl 9-[(E)-3-(octylamino)-3-oxo-prop-1-enyl]sulfanyl-9-oxo-nonanoate CAS Name: 9-[[(E)-3-(octylamino)-3-oxoprop-1-enyl]thio]-9-oxononanoic acid methyl ester IUPAC Name: methyl 9-[(E)-3-(octylamino)-3-oxoprop-1-enyl]sulfanyl-9-oxononanoate Traditional Name: 9-keto-9-[[(E)-3-keto-3-(octylamino)prop-1-enyl]thio]pelargonic acid methyl ester Formula: C21H37NO4S MolecularWeight: 399.58778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H37NO4S/c1-3-4-5-6-10-13-17-22-19(23)16-18-27-21(25)15-12-9-7-8-11-14-20(24)26-2/h16,18H,3-15,17H2,1-2H3,(H,22,23)/b18-16+