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

Systemtic Name: ethyl (1S,5R,6S)-7-diethoxyphosphoryl-5-methylsulfonyloxy-7-azabicyclo[4.1.0]hept-2-ene-3-carboxylate Openeye Name: ethyl (1S,5R,6S)-7-diethoxyphosphoryl-5-methylsulfonyloxy-7-azabicyclo[4.1.0]hept-2-ene-3-carboxylate CAS Name: (1S,5R,6S)-7-diethoxyphosphoryl-5-methylsulfonyloxy-7-azabicyclo[4.1.0]hept-2-ene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (1S,5R,6S)-7-diethoxyphosphoryl-5-methylsulfonyloxy-7-azabicyclo[4.1.0]hept-2-ene-3-carboxylate Traditional Name: (1S,5R,6S)-7-diethoxyphosphoryl-5-methylsulfonyloxy-7-azabicyclo[4.1.0]hept-2-ene-3-carboxylic acid ethyl ester Formula: C14H24NO8PS MolecularWeight: 397.381021

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2C(N2P(=O)(OCC)OCC)C(C1)OS(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=C[C@H]2[C@H](N2P(=O)(OCC)OCC)[C@@H](C1)OS(=O)(=O)C

InChI

InChI=1S/C14H24NO8PS/c1-5-20-14(16)10-8-11-13(12(9-10)23-25(4,18)19)15(11)24(17,21-6-2)22-7-3/h8,11-13H,5-7,9H2,1-4H3/t11-,12+,13-,15?/m0/s1