2-(ethanoylsulfanylmethyl)-3-methyl-butanoic acid

Systemtic Name: 2-(ethanoylsulfanylmethyl)-3-methyl-butanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-3-methyl-butanoic acid CAS Name: 2-[(acetylthio)methyl]-3-methylbutanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-3-methylbutanoic acid Traditional Name: 2-[(acetylthio)methyl]-3-methyl-butyric acid Formula: C8H14O3S MolecularWeight: 190.25996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CSC(=O)C)C(=O)O

Isomeric SMILES

CC(C)C(CSC(=O)C)C(=O)O

InChI

InChI=1S/C8H14O3S/c1-5(2)7(8(10)11)4-12-6(3)9/h5,7H,4H2,1-3H3,(H,10,11)