ethyl (1S,4R)-2-ethanoyl-3-thiabicyclo[2.2.2]oct-5-ene-2-carboxylate

Systemtic Name: ethyl (1S,4R)-2-ethanoyl-3-thiabicyclo[2.2.2]oct-5-ene-2-carboxylate Openeye Name: ethyl (1S,4R)-2-acetyl-3-thiabicyclo[2.2.2]oct-5-ene-2-carboxylate CAS Name: (1S,4R)-2-acetyl-3-thiabicyclo[2.2.2]oct-5-ene-2-carboxylic acid ethyl ester IUPAC Name: ethyl (1S,4R)-2-acetyl-3-thiabicyclo[2.2.2]oct-5-ene-2-carboxylate Traditional Name: (1S,4R)-2-acetyl-3-thiabicyclo[2.2.2]oct-5-ene-2-carboxylic acid ethyl ester Formula: C12H16O3S MolecularWeight: 240.31864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C2CCC(S1)C=C2)C(=O)C

Isomeric SMILES

CCOC(=O)C1([C@H]2CC[C@@H](S1)C=C2)C(=O)C

InChI

InChI=1S/C12H16O3S/c1-3-15-11(14)12(8(2)13)9-4-6-10(16-12)7-5-9/h4,6,9-10H,3,5,7H2,1-2H3/t9-,10+,12?/m1/s1