(diphenylmethyl) (2R,6R,7R)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxidanylidene-3-[(E)-(1-oxidanyl-2-oxidanylidene-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)-(1-oxidanyl-2-oxidanylidene-pyrrolidin-3-ylidene)methyl]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Openeye Name: benzhydryl (2R,6R,7R)-7-(tert-butoxycarbonylamino)-3-[(E)-(1-hydroxy-2-oxo-pyrrolidin-3-ylidene)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate CAS Name: (2R,6R,7R)-3-[(E)-(1-hydroxy-2-oxo-3-pyrrolidinylidene)methyl]-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 (2R,6R,7R)-3-[(E)-(1-hydroxy-2-oxopyrrolidin-3-ylidene)methyl]-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Traditional Name: (2R,6R,7R)-7-(tert-butoxycarbonylamino)-3-[(E)-(1-hydroxy-2-keto-pyrrolidin-3-ylidene)methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid benzhydryl ester Formula: C30H31N3O7S MolecularWeight: 577.64804

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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)O)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)O)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H31N3O7S/c1-30(2,3)40-29(37)31-22-26(35)33-23(21(17-41-27(22)33)16-20-14-15-32(38)25(20)34)28(36)39-24(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,16-17,22-24,27,38H,14-15H2,1-3H3,(H,31,37)/b20-16+/t22-,23-,27-/m1/s1