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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-(1-azepanyl)-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-(azepan-1-yl)-2-keto-ethyl]thio]propionic acid Formula: C11H19NO3S MolecularWeight: 245.33846

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSCCC(=O)O

Isomeric SMILES

C1CCCN(CC1)C(=O)CSCCC(=O)O

InChI

InChI=1S/C11H19NO3S/c13-10(9-16-8-5-11(14)15)12-6-3-1-2-4-7-12/h1-9H2,(H,14,15)