ethyl 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: ethyl 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: ethyl 3-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-(1-azepanyl)-2-oxoethyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(azepan-1-yl)-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-(azepan-1-yl)-2-keto-ethyl]thio]propionic acid ethyl ester Formula: C13H23NO3S MolecularWeight: 273.39162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCSCC(=O)N1CCCCCC1

Isomeric SMILES

CCOC(=O)CCSCC(=O)N1CCCCCC1

InChI

InChI=1S/C13H23NO3S/c1-2-17-13(16)7-10-18-11-12(15)14-8-5-3-4-6-9-14/h2-11H2,1H3