(4-methoxyphenyl)methyl (7R)-8-oxidanylidene-7-(2-phenylsulfanylethanoylamino)-3-[(E)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)ethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (4-methoxyphenyl)methyl (7R)-8-oxidanylidene-7-(2-phenylsulfanylethanoylamino)-3-[(E)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)ethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-methoxyphenyl)methyl (7R)-8-oxo-7-[(2-phenylsulfanylacetyl)amino]-3-[(E)-2-[3-(2-pyridyl)isoxazol-5-yl]vinyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (7R)-8-oxo-7-[[1-oxo-2-(phenylthio)ethyl]amino]-3-[(E)-2-[3-(2-pyridinyl)-5-isoxazolyl]ethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl (7R)-8-oxo-7-[(2-phenylsulfanylacetyl)amino]-3-[(E)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)ethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (7R)-8-keto-7-[[2-(phenylthio)acetyl]amino]-3-[(E)-2-[3-(2-pyridyl)isoxazol-5-yl]vinyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid p-anisyl ester Formula: C33H28N4O6S2 MolecularWeight: 640.72862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC(=O)C2=C(CSC3N2C(=O)C3NC(=O)CSC4=CC=CC=C4)C=CC5=CC(=NO5)C6=CC=CC=N6

Isomeric SMILES

COC1=CC=C(C=C1)COC(=O)C2=C(CSC3N2C(=O)[C@H]3NC(=O)CSC4=CC=CC=C4)/C=C/C5=CC(=NO5)C6=CC=CC=N6

InChI

InChI=1S/C33H28N4O6S2/c1-41-23-13-10-21(11-14-23)18-42-33(40)30-22(12-15-24-17-27(36-43-24)26-9-5-6-16-34-26)19-45-32-29(31(39)37(30)32)35-28(38)20-44-25-7-3-2-4-8-25/h2-17,29,32H,18-20H2,1H3,(H,35,38)/b15-12+/t29-,32?/m1/s1