cyanomethyl (2S,5R,6R)-6-azanyl-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: cyanomethyl (2S,5R,6R)-6-azanyl-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: cyanomethyl (2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: (2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl (2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: (2S,5R,6R)-6-amino-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid cyanomethyl ester Formula: C10H13N3O3S MolecularWeight: 255.29352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13N3O3S/c1-10(2)6(9(15)16-4-3-11)13-7(14)5(12)8(13)17-10/h5-6,8H,4,12H2,1-2H3/t5-,6+,8-/m1/s1