S-(8-azanyl-8-oxidanylidene-1-sulfanyl-octan-3-yl) 2-methylpropanethioate

Systemtic Name: S-(8-azanyl-8-oxidanylidene-1-sulfanyl-octan-3-yl) 2-methylpropanethioate Openeye Name: S-[6-amino-6-oxo-1-(2-sulfanylethyl)hexyl] 2-methylpropanethioate CAS Name: 2-methylpropanethioic acid S-(8-amino-1-mercapto-8-oxooctan-3-yl) ester IUPAC Name: S-(8-amino-8-oxo-1-sulfanyloctan-3-yl) 2-methylpropanethioate Traditional Name: 2-methylpropanethioic acid S-[6-amino-6-keto-1-(2-mercaptoethyl)hexyl] ester Formula: C12H23NO2S2 MolecularWeight: 277.44652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H23NO2S2/c1-9(2)12(15)17-10(7-8-16)5-3-4-6-11(13)14/h9-10,16H,3-8H2,1-2H3,(H2,13,14)