(diphenylmethyl) (2R,6R,7R)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxidanylidene-3-[(E)-(2-oxidanylidene-1-prop-2-enyl-pyrrolidin-3-ylidene)methyl]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) (2R,6R,7R)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxidanylidene-3-[(E)-(2-oxidanylidene-1-prop-2-enyl-pyrrolidin-3-ylidene)methyl]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Openeye Name: benzhydryl (2R,6R,7R)-3-[(E)-(1-allyl-2-oxo-pyrrolidin-3-ylidene)methyl]-7-(tert-butoxycarbonylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate CAS Name: (2R,6R,7R)-7-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-8-oxo-3-[(E)-(2-oxo-1-prop-2-enyl-3-pyrrolidinylidene)methyl]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl (2R,6R,7R)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxo-3-[(E)-(2-oxo-1-prop-2-enylpyrrolidin-3-ylidene)methyl]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Traditional Name: (2R,6R,7R)-3-[(E)-(1-allyl-2-keto-pyrrolidin-3-ylidene)methyl]-7-(tert-butoxycarbonylamino)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid benzhydryl ester Formula: C33H35N3O6S MolecularWeight: 601.7125

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1C2N(C1=O)C(C(=CS2)C=C3CCN(C3=O)CC=C)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(=CS2)/C=C/3\CCN(C3=O)CC=C)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H35N3O6S/c1-5-17-35-18-16-23(28(35)37)19-24-20-43-30-25(34-32(40)42-33(2,3)4)29(38)36(30)26(24)31(39)41-27(21-12-8-6-9-13-21)22-14-10-7-11-15-22/h5-15,19-20,25-27,30H,1,16-18H2,2-4H3,(H,34,40)/b23-19+/t25-,26-,30-/m1/s1