ethyl 2-(2-methylbut-3-en-2-yl)-3-oxidanylidene-thiane-2-carboxylate

Systemtic Name: ethyl 2-(2-methylbut-3-en-2-yl)-3-oxidanylidene-thiane-2-carboxylate Openeye Name: ethyl 2-(1,1-dimethylallyl)-3-oxo-tetrahydrothiopyran-2-carboxylate CAS Name: 2-(2-methylbut-3-en-2-yl)-3-oxo-2-thianecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-methylbut-3-en-2-yl)-3-oxothiane-2-carboxylate Traditional Name: 2-(1,1-dimethylallyl)-3-keto-tetrahydrothiopyran-2-carboxylic acid ethyl ester Formula: C13H20O3S MolecularWeight: 256.3611

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(=O)CCCS1)C(C)(C)C=C

Isomeric SMILES

CCOC(=O)C1(C(=O)CCCS1)C(C)(C)C=C

InChI

InChI=1S/C13H20O3S/c1-5-12(3,4)13(11(15)16-6-2)10(14)8-7-9-17-13/h5H,1,6-9H2,2-4H3