(4-methoxyphenyl)methyl 7-azanyl-3-[oxan-2-yl(2H-1,2,3-triazol-4-ylsulfanyl)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (4-methoxyphenyl)methyl 7-azanyl-3-[oxan-2-yl(2H-1,2,3-triazol-4-ylsulfanyl)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-methoxyphenyl)methyl 7-amino-8-oxo-3-[tetrahydropyran-2-yl(2H-triazol-4-ylsulfanyl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-amino-3-[2-oxanyl-(2H-triazol-4-ylthio)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl 7-amino-3-[oxan-2-yl(2H-triazol-4-ylsulfanyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-amino-8-keto-3-[tetrahydropyran-2-yl-(2H-triazol-4-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid p-anisyl ester Formula: C23H27N5O5S2 MolecularWeight: 517.62098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC(=O)C2=C(CSC3N2C(=O)C3N)C(C4CCCCO4)SC5=NNN=C5

Isomeric SMILES

COC1=CC=C(C=C1)COC(=O)C2=C(CSC3N2C(=O)C3N)C(C4CCCCO4)SC5=NNN=C5

InChI

InChI=1S/C23H27N5O5S2/c1-31-14-7-5-13(6-8-14)11-33-23(30)19-15(12-34-22-18(24)21(29)28(19)22)20(16-4-2-3-9-32-16)35-17-10-25-27-26-17/h5-8,10,16,18,20,22H,2-4,9,11-12,24H2,1H3,(H,25,26,27)