ethyl 3-[(E)-4-bromanylbut-2-enyl]-4-oxidanylidene-thiane-3-carboxylate

Systemtic Name: ethyl 3-[(E)-4-bromanylbut-2-enyl]-4-oxidanylidene-thiane-3-carboxylate Openeye Name: ethyl 3-[(E)-4-bromobut-2-enyl]-4-oxo-tetrahydrothiopyran-3-carboxylate CAS Name: 3-[(E)-4-bromobut-2-enyl]-4-oxo-3-thianecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(E)-4-bromobut-2-enyl]-4-oxothiane-3-carboxylate Traditional Name: 3-[(E)-4-bromobut-2-enyl]-4-keto-tetrahydrothiopyran-3-carboxylic acid ethyl ester Formula: C12H17BrO3S MolecularWeight: 321.23058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CSCCC1=O)CC=CCBr

Isomeric SMILES

CCOC(=O)C1(CSCCC1=O)C/C=C/CBr

InChI

InChI=1S/C12H17BrO3S/c1-2-16-11(15)12(6-3-4-7-13)9-17-8-5-10(12)14/h3-4H,2,5-9H2,1H3/b4-3+