methyl 5-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl]sulfanyl-5-oxidanylidene-pentanoate

Systemtic Name: methyl 5-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl]sulfanyl-5-oxidanylidene-pentanoate Openeye Name: methyl 5-[(E)-3-(octylamino)-3-oxo-prop-1-enyl]sulfanyl-5-oxo-pentanoate CAS Name: 5-[[(E)-3-(octylamino)-3-oxoprop-1-enyl]thio]-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-[(E)-3-(octylamino)-3-oxoprop-1-enyl]sulfanyl-5-oxopentanoate Traditional Name: 5-keto-5-[[(E)-3-keto-3-(octylamino)prop-1-enyl]thio]valeric acid methyl ester Formula: C17H29NO4S MolecularWeight: 343.48146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29NO4S/c1-3-4-5-6-7-8-13-18-15(19)12-14-23-17(21)11-9-10-16(20)22-2/h12,14H,3-11,13H2,1-2H3,(H,18,19)/b14-12+