acetyloxymethyl 3,3-dimethyl-7-oxidanylidene-6-(phenylmethoxycarbonylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: acetyloxymethyl 3,3-dimethyl-7-oxidanylidene-6-(phenylmethoxycarbonylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: acetoxymethyl 6-(benzyloxycarbonylamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 3,3-dimethyl-7-oxo-6-(phenylmethoxycarbonylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid acetyloxymethyl ester IUPAC Name: acetyloxymethyl 3,3-dimethyl-7-oxo-6-(phenylmethoxycarbonylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-(benzyloxycarbonylamino)-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid acetoxymethyl ester Formula: C19H22N2O7S MolecularWeight: 422.45218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCOC(=O)C1C(SC2N1C(=O)C2NC(=O)OCC3=CC=CC=C3)(C)C

Isomeric SMILES

CC(=O)OCOC(=O)C1C(SC2N1C(=O)C2NC(=O)OCC3=CC=CC=C3)(C)C

InChI

InChI=1S/C19H22N2O7S/c1-11(22)27-10-28-17(24)14-19(2,3)29-16-13(15(23)21(14)16)20-18(25)26-9-12-7-5-4-6-8-12/h4-8,13-14,16H,9-10H2,1-3H3,(H,20,25)