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

Systemtic Name: (phenylmethyl) 6-bromanyl-6-(1-hydroxyethyl)-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzyl 6-bromo-6-(1-hydroxyethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-bromo-6-(1-hydroxyethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-bromo-6-(1-hydroxyethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-bromo-6-(1-hydroxyethyl)-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzyl ester Formula: C17H20BrNO4S MolecularWeight: 414.314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1(C2N(C1=O)C(C(S2)(C)C)C(=O)OCC3=CC=CC=C3)Br)O

Isomeric SMILES

CC(C1(C2N(C1=O)C(C(S2)(C)C)C(=O)OCC3=CC=CC=C3)Br)O

InChI

InChI=1S/C17H20BrNO4S/c1-10(20)17(18)14(22)19-12(16(2,3)24-15(17)19)13(21)23-9-11-7-5-4-6-8-11/h4-8,10,12,15,20H,9H2,1-3H3