methyl 3-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl]sulfanylpropanoate

Systemtic Name: methyl 3-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl]sulfanylpropanoate Openeye Name: methyl 3-[(E)-3-(octylamino)-3-oxo-prop-1-enyl]sulfanylpropanoate CAS Name: 3-[[(E)-3-(octylamino)-3-oxoprop-1-enyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[(E)-3-(octylamino)-3-oxoprop-1-enyl]sulfanylpropanoate Traditional Name: 3-[[(E)-3-keto-3-(octylamino)prop-1-enyl]thio]propionic acid methyl ester Formula: C15H27NO3S MolecularWeight: 301.44478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C=CSCCC(=O)OC

Isomeric SMILES

CCCCCCCCNC(=O)/C=C/SCCC(=O)OC

InChI

InChI=1S/C15H27NO3S/c1-3-4-5-6-7-8-11-16-14(17)9-12-20-13-10-15(18)19-2/h9,12H,3-8,10-11,13H2,1-2H3,(H,16,17)/b12-9+