methyl 4-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl]sulfanyl-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl]sulfanyl-4-oxidanylidene-butanoate Openeye Name: methyl 4-[(E)-3-(octylamino)-3-oxo-prop-1-enyl]sulfanyl-4-oxo-butanoate CAS Name: 4-[[(E)-3-(octylamino)-3-oxoprop-1-enyl]thio]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-(octylamino)-3-oxoprop-1-enyl]sulfanyl-4-oxobutanoate Traditional Name: 4-keto-4-[[(E)-3-keto-3-(octylamino)prop-1-enyl]thio]butyric acid methyl ester Formula: C16H27NO4S MolecularWeight: 329.45488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27NO4S/c1-3-4-5-6-7-8-12-17-14(18)11-13-22-16(20)10-9-15(19)21-2/h11,13H,3-10,12H2,1-2H3,(H,17,18)/b13-11+