S-(8-azanyl-8-oxidanylidene-3-sulfanyl-octyl) 3-methylbutanethioate

Systemtic Name: S-(8-azanyl-8-oxidanylidene-3-sulfanyl-octyl) 3-methylbutanethioate Openeye Name: S-(8-amino-8-oxo-3-sulfanyl-octyl) 3-methylbutanethioate CAS Name: 3-methylbutanethioic acid S-(8-amino-3-mercapto-8-oxooctyl) ester IUPAC Name: S-(8-amino-8-oxo-3-sulfanyloctyl) 3-methylbutanethioate Traditional Name: 3-methylbutanethioic acid S-(8-amino-8-keto-3-mercapto-octyl) ester Formula: C13H25NO2S2 MolecularWeight: 291.4731

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)SCCC(CCCCC(=O)N)S

Isomeric SMILES

CC(C)CC(=O)SCCC(CCCCC(=O)N)S

InChI

InChI=1S/C13H25NO2S2/c1-10(2)9-13(16)18-8-7-11(17)5-3-4-6-12(14)15/h10-11,17H,3-9H2,1-2H3,(H2,14,15)