ethyl 2-methyl-5-(2-methyl-3-oxidanylidene-butan-2-yl)-4-oxidanyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-methyl-5-(2-methyl-3-oxidanylidene-butan-2-yl)-4-oxidanyl-thiophene-3-carboxylate Openeye Name: ethyl 5-(1,1-dimethyl-2-oxo-propyl)-4-hydroxy-2-methyl-thiophene-3-carboxylate CAS Name: 4-hydroxy-2-methyl-5-(2-methyl-3-oxobutan-2-yl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-hydroxy-2-methyl-5-(2-methyl-3-oxobutan-2-yl)thiophene-3-carboxylate Traditional Name: 4-hydroxy-5-(2-keto-1,1-dimethyl-propyl)-2-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1O)C(C)(C)C(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1O)C(C)(C)C(=O)C)C

InChI

InChI=1S/C13H18O4S/c1-6-17-12(16)9-7(2)18-11(10(9)15)13(4,5)8(3)14/h15H,6H2,1-5H3