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

Systemtic Name: (phenylmethyl) 6-bromanyl-2-(hydroxymethyl)-3,3-dimethyl-7-oxidanylidene-6-pyridin-2-yl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzyl 6-bromo-2-(hydroxymethyl)-3,3-dimethyl-7-oxo-6-(2-pyridyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-bromo-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 6-bromo-2-(hydroxymethyl)-3,3-dimethyl-7-oxo-6-pyridin-2-yl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-bromo-7-keto-3,3-dimethyl-2-methylol-6-(2-pyridyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzyl ester Formula: C21H21BrN2O4S MolecularWeight: 477.37144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN2O4S/c1-19(2)20(13-25,18(27)28-12-14-8-4-3-5-9-14)24-16(26)21(22,17(24)29-19)15-10-6-7-11-23-15/h3-11,17,25H,12-13H2,1-2H3