(diphenylmethyl) 3-(bromomethyl)-3-methyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: (diphenylmethyl) 3-(bromomethyl)-3-methyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzhydryl 3-(bromomethyl)-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 3-(bromomethyl)-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 3-(bromomethyl)-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 3-(bromomethyl)-7-keto-3-methyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzhydryl ester Formula: C21H20BrNO3S MolecularWeight: 446.3574

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)CC2=O)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)CBr

Isomeric SMILES

CC1(C(N2C(S1)CC2=O)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)CBr

InChI

InChI=1S/C21H20BrNO3S/c1-21(13-22)19(23-16(24)12-17(23)27-21)20(25)26-18(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,17-19H,12-13H2,1H3