prop-2-enyl (2S,5R,6R)-6-ethynyl-3,3-dimethyl-6-oxidanyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: prop-2-enyl (2S,5R,6R)-6-ethynyl-3,3-dimethyl-6-oxidanyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: allyl (2S,5R,6R)-6-ethynyl-6-hydroxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: (2S,5R,6R)-6-ethynyl-6-hydroxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (2S,5R,6R)-6-ethynyl-6-hydroxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: (2S,5R,6R)-6-ethynyl-6-hydroxy-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid allyl ester Formula: C13H15NO4S MolecularWeight: 281.3275

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)(C#C)O)C(=O)OCC=C)C

Isomeric SMILES

CC1([C@@H](N2[C@H](S1)[C@](C2=O)(C#C)O)C(=O)OCC=C)C

InChI

InChI=1S/C13H15NO4S/c1-5-7-18-9(15)8-12(3,4)19-11-13(17,6-2)10(16)14(8)11/h2,5,8,11,17H,1,7H2,3-4H3/t8-,11+,13+/m0/s1