3,3-dimethyl-7-oxidanylidene-2-(phenylmethoxycarbonylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: 3,3-dimethyl-7-oxidanylidene-2-(phenylmethoxycarbonylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 2-(benzyloxycarbonylamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 3,3-dimethyl-7-oxo-2-(phenylmethoxycarbonylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 3,3-dimethyl-7-oxo-2-(phenylmethoxycarbonylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 2-(benzyloxycarbonylamino)-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C16H18N2O5S MolecularWeight: 350.38952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)CC2=O)(C(=O)O)NC(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1(C(N2C(S1)CC2=O)(C(=O)O)NC(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C16H18N2O5S/c1-15(2)16(13(20)21,18-11(19)8-12(18)24-15)17-14(22)23-9-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3,(H,17,22)(H,20,21)