2-[2-oxidanylidene-3-(sulfanylmethyl)azepan-1-yl]propanoic acid

Systemtic Name: 2-[2-oxidanylidene-3-(sulfanylmethyl)azepan-1-yl]propanoic acid Openeye Name: 2-[2-oxo-3-(sulfanylmethyl)azepan-1-yl]propanoic acid CAS Name: 2-[3-(mercaptomethyl)-2-oxo-1-azepanyl]propanoic acid IUPAC Name: 2-[2-oxo-3-(sulfanylmethyl)azepan-1-yl]propanoic acid Traditional Name: 2-[2-keto-3-(mercaptomethyl)azepan-1-yl]propionic acid Formula: C10H17NO3S MolecularWeight: 231.31188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1CCCCC(C1=O)CS

Isomeric SMILES

CC(C(=O)O)N1CCCCC(C1=O)CS

InChI

InChI=1S/C10H17NO3S/c1-7(10(13)14)11-5-3-2-4-8(6-15)9(11)12/h7-8,15H,2-6H2,1H3,(H,13,14)