(diphenylmethyl) (6R,7R)-3-[(E)-[1-[(3-methoxyphenyl)methyl]-2-oxidanylidene-pyrrolidin-3-ylidene]methyl]-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,8-bis(oxidanylidene)-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) (6R,7R)-3-[(E)-[1-[(3-methoxyphenyl)methyl]-2-oxidanylidene-pyrrolidin-3-ylidene]methyl]-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,8-bis(oxidanylidene)-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl (6R,7R)-7-(tert-butoxycarbonylamino)-3-[(E)-[1-[(3-methoxyphenyl)methyl]-2-oxo-pyrrolidin-3-ylidene]methyl]-5,8-dioxo-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7R)-3-[(E)-[1-[(3-methoxyphenyl)methyl]-2-oxo-3-pyrrolidinylidene]methyl]-7-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5,8-dioxo-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl (6R,7R)-3-[(E)-[1-[(3-methoxyphenyl)methyl]-2-oxopyrrolidin-3-ylidene]methyl]-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,8-dioxo-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7R)-7-(tert-butoxycarbonylamino)-5,8-diketo-3-[(E)-(2-keto-1-m-anisyl-pyrrolidin-3-ylidene)methyl]-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C38H39N3O8S MolecularWeight: 697.79656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1C2N(C1=O)C(=C(CS2=O)C=C3CCN(C3=O)CC4=CC(=CC=C4)OC)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H]1[C@@H]2N(C1=O)C(=C(CS2=O)/C=C/3\CCN(C3=O)CC4=CC(=CC=C4)OC)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C38H39N3O8S/c1-38(2,3)49-37(45)39-30-34(43)41-31(36(44)48-32(25-13-7-5-8-14-25)26-15-9-6-10-16-26)28(23-50(46)35(30)41)21-27-18-19-40(33(27)42)22-24-12-11-17-29(20-24)47-4/h5-17,20-21,30,32,35H,18-19,22-23H2,1-4H3,(H,39,45)/b27-21+/t30-,35-,50?/m1/s1