2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]acetate IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]acetate Formula: C10H16NO3S- MolecularWeight: 230.30394

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSCC(=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)CSCC(=O)[O-]

InChI

InChI=1S/C10H17NO3S/c12-9(7-15-8-10(13)14)11-5-3-1-2-4-6-11/h1-8H2,(H,13,14)/p-1