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

Systemtic Name: 2-[3-(ethanoylsulfanylmethyl)-2-oxidanylidene-azocan-1-yl]ethanoic acid Openeye Name: 2-[3-(acetylsulfanylmethyl)-2-oxo-azocan-1-yl]acetic acid CAS Name: 2-[3-[(acetylthio)methyl]-2-oxo-1-azocanyl]acetic acid IUPAC Name: 2-[3-(acetylsulfanylmethyl)-2-oxoazocan-1-yl]acetic acid Traditional Name: 2-[3-[(acetylthio)methyl]-2-keto-azocan-1-yl]acetic acid Formula: C12H19NO4S MolecularWeight: 273.34856

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1CCCCCN(C1=O)CC(=O)O

Isomeric SMILES

CC(=O)SCC1CCCCCN(C1=O)CC(=O)O

InChI

InChI=1S/C12H19NO4S/c1-9(14)18-8-10-5-3-2-4-6-13(12(10)17)7-11(15)16/h10H,2-8H2,1H3,(H,15,16)