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

Systemtic Name: 2-[2-oxidanylidene-3-(sulfanylmethyl)azocan-1-yl]ethanoic acid Openeye Name: 2-[2-oxo-3-(sulfanylmethyl)azocan-1-yl]acetic acid CAS Name: 2-[3-(mercaptomethyl)-2-oxo-1-azocanyl]acetic acid IUPAC Name: 2-[2-oxo-3-(sulfanylmethyl)azocan-1-yl]acetic acid Traditional Name: 2-[2-keto-3-(mercaptomethyl)azocan-1-yl]acetic acid Formula: C10H17NO3S MolecularWeight: 231.31188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(=O)N(CC1)CC(=O)O)CS

Isomeric SMILES

C1CCC(C(=O)N(CC1)CC(=O)O)CS

InChI

InChI=1S/C10H17NO3S/c12-9(13)6-11-5-3-1-2-4-8(7-15)10(11)14/h8,15H,1-7H2,(H,12,13)