(diphenylmethyl) 3-bromanyl-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate

Systemtic Name: (diphenylmethyl) 3-bromanyl-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Openeye Name: benzhydryl 3-bromo-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate CAS Name: 3-bromo-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 3-bromo-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Traditional Name: 3-bromo-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid benzhydryl ester Formula: C21H20BrNO3S MolecularWeight: 446.3574

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2CC(=O)N2C1C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)Br

Isomeric SMILES

CC1(CSC2CC(=O)N2C1C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)Br

InChI

InChI=1S/C21H20BrNO3S/c1-21(22)13-27-17-12-16(24)23(17)19(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