1-sulfanylpropan-2-yl 3-oxidanylidenebutanoate

Systemtic Name: 1-sulfanylpropan-2-yl 3-oxidanylidenebutanoate Openeye Name: (1-methyl-2-sulfanyl-ethyl) 3-oxobutanoate CAS Name: 3-oxobutanoic acid 1-mercaptopropan-2-yl ester IUPAC Name: 1-sulfanylpropan-2-yl 3-oxobutanoate Traditional Name: 3-ketobutyric acid (2-mercapto-1-methyl-ethyl) ester Formula: C7H12O3S MolecularWeight: 176.23338

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)OC(=O)CC(=O)C

Isomeric SMILES

CC(CS)OC(=O)CC(=O)C

InChI

InChI=1S/C7H12O3S/c1-5(8)3-7(9)10-6(2)4-11/h6,11H,3-4H2,1-2H3