(2S,5R,6R)-3,3-dimethyl-7-oxidanylidene-6-[(phenylmethyl)sulfonylamino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: (2S,5R,6R)-3,3-dimethyl-7-oxidanylidene-6-[(phenylmethyl)sulfonylamino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: (2S,5R,6R)-6-(benzylsulfonylamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(phenylmethyl)sulfonylamino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: (2S,5R,6R)-6-(benzylsulfonylamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: (2S,5R,6R)-6-(benzylsulfonylamino)-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C15H18N2O5S2 MolecularWeight: 370.44382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NS(=O)(=O)CC3=CC=CC=C3)C(=O)O)C

Isomeric SMILES

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NS(=O)(=O)CC3=CC=CC=C3)C(=O)O)C

InChI

InChI=1S/C15H18N2O5S2/c1-15(2)11(14(19)20)17-12(18)10(13(17)23-15)16-24(21,22)8-9-6-4-3-5-7-9/h3-7,10-11,13,16H,8H2,1-2H3,(H,19,20)/t10-,11+,13-/m1/s1