ethyl 2-but-3-en-2-yl-3-oxidanylidene-thiane-2-carboxylate

Systemtic Name: ethyl 2-but-3-en-2-yl-3-oxidanylidene-thiane-2-carboxylate Openeye Name: ethyl 2-(1-methylallyl)-3-oxo-tetrahydrothiopyran-2-carboxylate CAS Name: 2-but-3-en-2-yl-3-oxo-2-thianecarboxylic acid ethyl ester IUPAC Name: ethyl 2-but-3-en-2-yl-3-oxothiane-2-carboxylate Traditional Name: 3-keto-2-(1-methylallyl)tetrahydrothiopyran-2-carboxylic acid ethyl ester Formula: C12H18O3S MolecularWeight: 242.33452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18O3S/c1-4-9(3)12(11(14)15-5-2)10(13)7-6-8-16-12/h4,9H,1,5-8H2,2-3H3