ethyl (1S,2S,6R,7S)-2-acetamido-2-cyano-5-thiabicyclo[4.1.0]heptane-7-carboxylate

Systemtic Name: ethyl (1S,2S,6R,7S)-2-acetamido-2-cyano-5-thiabicyclo[4.1.0]heptane-7-carboxylate Openeye Name: ethyl (1S,2S,6R,7S)-2-acetamido-2-cyano-5-thiabicyclo[4.1.0]heptane-7-carboxylate CAS Name: (1S,2S,6R,7S)-2-acetamido-2-cyano-5-thiabicyclo[4.1.0]heptane-7-carboxylic acid ethyl ester IUPAC Name: ethyl (1S,2S,6R,7S)-2-acetamido-2-cyano-5-thiabicyclo[4.1.0]heptane-7-carboxylate Traditional Name: (1S,2S,6R,7S)-2-acetamido-2-cyano-5-thiabicyclo[4.1.0]heptane-7-carboxylic acid ethyl ester Formula: C12H16N2O3S MolecularWeight: 268.33204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C2C1SCCC2(C#N)NC(=O)C

Isomeric SMILES

CCOC(=O)[C@@H]1[C@@H]2[C@H]1SCC[C@]2(C#N)NC(=O)C

InChI

InChI=1S/C12H16N2O3S/c1-3-17-11(16)8-9-10(8)18-5-4-12(9,6-13)14-7(2)15/h8-10H,3-5H2,1-2H3,(H,14,15)/t8-,9-,10+,12-/m1/s1