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

Systemtic Name: methyl 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-(1-azepanyl)-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(azepan-1-yl)-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-(azepan-1-yl)-2-keto-ethyl]thio]propionic acid methyl ester Formula: C12H21NO3S MolecularWeight: 259.36504

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC(=O)N1CCCCCC1

Isomeric SMILES

COC(=O)CCSCC(=O)N1CCCCCC1

InChI

InChI=1S/C12H21NO3S/c1-16-12(15)6-9-17-10-11(14)13-7-4-2-3-5-8-13/h2-10H2,1H3