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

Systemtic Name: 2-[2-oxidanylidene-3-(sulfanylmethyl)azocan-1-yl]propanoic acid Openeye Name: 2-[2-oxo-3-(sulfanylmethyl)azocan-1-yl]propanoic acid CAS Name: 2-[3-(mercaptomethyl)-2-oxo-1-azocanyl]propanoic acid IUPAC Name: 2-[2-oxo-3-(sulfanylmethyl)azocan-1-yl]propanoic acid Traditional Name: 2-[2-keto-3-(mercaptomethyl)azocan-1-yl]propionic acid Formula: C11H19NO3S MolecularWeight: 245.33846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1CCCCCC(C1=O)CS

Isomeric SMILES

CC(C(=O)O)N1CCCCCC(C1=O)CS

InChI

InChI=1S/C11H19NO3S/c1-8(11(14)15)12-6-4-2-3-5-9(7-16)10(12)13/h8-9,16H,2-7H2,1H3,(H,14,15)