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

Systemtic Name: 3-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-(azocan-1-yl)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-(1-azocanyl)-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-(azocan-1-yl)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-(azocan-1-yl)-2-keto-ethyl]thio]propionic acid Formula: C12H21NO3S MolecularWeight: 259.36504

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)CSCCC(=O)O

Isomeric SMILES

C1CCCN(CCC1)C(=O)CSCCC(=O)O

InChI

InChI=1S/C12H21NO3S/c14-11(10-17-9-6-12(15)16)13-7-4-2-1-3-5-8-13/h1-10H2,(H,15,16)