S-(8-azanyl-8-oxidanylidene-1-sulfanyl-octan-3-yl) ethanethioate

Systemtic Name: S-(8-azanyl-8-oxidanylidene-1-sulfanyl-octan-3-yl) ethanethioate Openeye Name: S-[6-amino-6-oxo-1-(2-sulfanylethyl)hexyl] ethanethioate CAS Name: ethanethioic acid S-(8-amino-1-mercapto-8-oxooctan-3-yl) ester IUPAC Name: S-(8-amino-8-oxo-1-sulfanyloctan-3-yl) ethanethioate Traditional Name: ethanethioic acid S-[6-amino-6-keto-1-(2-mercaptoethyl)hexyl] ester Formula: C10H19NO2S2 MolecularWeight: 249.39336

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CCCCC(=O)N)CCS

Isomeric SMILES

CC(=O)SC(CCCCC(=O)N)CCS

InChI

InChI=1S/C10H19NO2S2/c1-8(12)15-9(6-7-14)4-2-3-5-10(11)13/h9,14H,2-7H2,1H3,(H2,11,13)