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

Systemtic Name: (diphenylmethyl) 7-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]ethanoylamino]-8-oxidanylidene-3-phenacyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 7-[[2-[2-(tert-butoxycarbonylamino)phenyl]acetyl]amino]-8-oxo-3-phenacyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[2-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]-1-oxoethyl]amino]-8-oxo-3-phenacyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 7-[[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]amino]-8-oxo-3-phenacyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[2-[2-(tert-butoxycarbonylamino)phenyl]acetyl]amino]-8-keto-3-phenacyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C41H39N3O7S MolecularWeight: 717.82926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC=C1CC(=O)NC2C3N(C2=O)C(=C(CS3)CC(=O)C4=CC=CC=C4)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC=C1CC(=O)NC2C3N(C2=O)C(=C(CS3)CC(=O)C4=CC=CC=C4)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C41H39N3O7S/c1-41(2,3)51-40(49)42-31-22-14-13-21-29(31)24-33(46)43-34-37(47)44-35(30(25-52-38(34)44)23-32(45)26-15-7-4-8-16-26)39(48)50-36(27-17-9-5-10-18-27)28-19-11-6-12-20-28/h4-22,34,36,38H,23-25H2,1-3H3,(H,42,49)(H,43,46)