2-methylpropyl 3,5-dimethyl-4-oxidanyl-thiophene-2-carboxylate

Systemtic Name: 2-methylpropyl 3,5-dimethyl-4-oxidanyl-thiophene-2-carboxylate Openeye Name: isobutyl 4-hydroxy-3,5-dimethyl-thiophene-2-carboxylate CAS Name: 4-hydroxy-3,5-dimethyl-2-thiophenecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-hydroxy-3,5-dimethylthiophene-2-carboxylate Traditional Name: 4-hydroxy-3,5-dimethyl-thiophene-2-carboxylic acid isobutyl ester Formula: C11H16O3S MolecularWeight: 228.30794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1O)C)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(SC(=C1O)C)C(=O)OCC(C)C

InChI

InChI=1S/C11H16O3S/c1-6(2)5-14-11(13)10-7(3)9(12)8(4)15-10/h6,12H,5H2,1-4H3