methyl 5-(4-methylpentan-2-yl)-4-oxidanylidene-thiolane-3-carboxylate

Systemtic Name: methyl 5-(4-methylpentan-2-yl)-4-oxidanylidene-thiolane-3-carboxylate Openeye Name: methyl 5-(1,3-dimethylbutyl)-4-oxo-tetrahydrothiophene-3-carboxylate CAS Name: 5-(4-methylpentan-2-yl)-4-oxo-3-thiolanecarboxylic acid methyl ester IUPAC Name: methyl 5-(4-methylpentan-2-yl)-4-oxothiolane-3-carboxylate Traditional Name: 5-(1,3-dimethylbutyl)-4-keto-tetrahydrothiophene-3-carboxylic acid methyl ester Formula: C12H20O3S MolecularWeight: 244.3504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)C1C(=O)C(CS1)C(=O)OC

Isomeric SMILES

CC(C)CC(C)C1C(=O)C(CS1)C(=O)OC

InChI

InChI=1S/C12H20O3S/c1-7(2)5-8(3)11-10(13)9(6-16-11)12(14)15-4/h7-9,11H,5-6H2,1-4H3