(diphenylmethyl) 7-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-8-oxidanylidene-4-thia-1-azabicyclo[4.2.0]octane-2-carboxylate

Systemtic Name: (diphenylmethyl) 7-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-8-oxidanylidene-4-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Openeye Name: benzhydryl 7-(tert-butoxycarbonylamino)-2-hydroxy-8-oxo-4-thia-1-azabicyclo[4.2.0]octane-2-carboxylate CAS Name: 2-hydroxy-7-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-8-oxo-4-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 2-hydroxy-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxo-4-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Traditional Name: 7-(tert-butoxycarbonylamino)-2-hydroxy-8-keto-4-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid benzhydryl ester Formula: C25H28N2O6S MolecularWeight: 484.56462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1C2CSCC(N2C1=O)(C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1C2CSCC(N2C1=O)(C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C25H28N2O6S/c1-24(2,3)33-23(30)26-19-18-14-34-15-25(31,27(18)21(19)28)22(29)32-20(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18-20,31H,14-15H2,1-3H3,(H,26,30)