ethyl (1S,5R,6S)-7-ethanoyl-5-methylsulfonyloxy-7-azabicyclo[4.1.0]hept-2-ene-3-carboxylate

Systemtic Name: ethyl (1S,5R,6S)-7-ethanoyl-5-methylsulfonyloxy-7-azabicyclo[4.1.0]hept-2-ene-3-carboxylate Openeye Name: ethyl (1S,5R,6S)-7-acetyl-5-methylsulfonyloxy-7-azabicyclo[4.1.0]hept-2-ene-3-carboxylate CAS Name: (1S,5R,6S)-7-acetyl-5-methylsulfonyloxy-7-azabicyclo[4.1.0]hept-2-ene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (1S,5R,6S)-7-acetyl-5-methylsulfonyloxy-7-azabicyclo[4.1.0]hept-2-ene-3-carboxylate Traditional Name: (1S,5R,6S)-7-acetyl-5-methylsulfonyloxy-7-azabicyclo[4.1.0]hept-2-ene-3-carboxylic acid ethyl ester Formula: C12H17NO6S MolecularWeight: 303.33148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2C(N2C(=O)C)C(C1)OS(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=C[C@H]2[C@H](N2C(=O)C)[C@@H](C1)OS(=O)(=O)C

InChI

InChI=1S/C12H17NO6S/c1-4-18-12(15)8-5-9-11(13(9)7(2)14)10(6-8)19-20(3,16)17/h5,9-11H,4,6H2,1-3H3/t9-,10+,11-,13?/m0/s1