(diphenylmethyl) 3-carbonazidoyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) 3-carbonazidoyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Openeye Name: benzhydryl 7-(tert-butoxycarbonylamino)-3-carbonazidoyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate CAS Name: 3-carbonazidoyl-7-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 3-carbonazidoyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Traditional Name: 7-(tert-butoxycarbonylamino)-3-carbonazidoyl-8-keto-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid benzhydryl ester Formula: C26H25N5O6S MolecularWeight: 535.5716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1C2N(C1=O)C(C(=CS2)C(=O)N=[N+]=[N-])C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)NC1C2N(C1=O)C(C(=CS2)C(=O)N=[N+]=[N-])C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H25N5O6S/c1-26(2,3)37-25(35)28-18-22(33)31-19(17(14-38-23(18)31)21(32)29-30-27)24(34)36-20(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,18-20,23H,1-3H3,(H,28,35)