(phenylmethyl) 2-(hydroxymethyl)-3,3-dimethyl-7-oxidanylidene-6-pyridin-2-yl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: (phenylmethyl) 2-(hydroxymethyl)-3,3-dimethyl-7-oxidanylidene-6-pyridin-2-yl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzyl 2-(hydroxymethyl)-3,3-dimethyl-7-oxo-6-(2-pyridyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 2-(hydroxymethyl)-3,3-dimethyl-7-oxo-6-(2-pyridinyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(hydroxymethyl)-3,3-dimethyl-7-oxo-6-pyridin-2-yl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 7-keto-3,3-dimethyl-2-methylol-6-(2-pyridyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)C3=CC=CC=N3)(CO)C(=O)OCC4=CC=CC=C4)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)C3=CC=CC=N3)(CO)C(=O)OCC4=CC=CC=C4)C

InChI

InChI=1S/C21H22N2O4S/c1-20(2)21(13-24,19(26)27-12-14-8-4-3-5-9-14)23-17(25)16(18(23)28-20)15-10-6-7-11-22-15/h3-11,16,18,24H,12-13H2,1-2H3