(4-methoxyphenyl)methyl 7-azido-8-oxidanylidene-3-pyridin-4-yl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (4-methoxyphenyl)methyl 7-azido-8-oxidanylidene-3-pyridin-4-yl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-methoxyphenyl)methyl 7-azido-8-oxo-3-(4-pyridyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-azido-8-oxo-3-pyridin-4-yl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl 7-azido-8-oxo-3-pyridin-4-yl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-azido-8-keto-3-(4-pyridyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid p-anisyl ester Formula: C20H17N5O4S MolecularWeight: 423.44508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC(=O)C2=C(CSC3N2C(=O)C3N=[N+]=[N-])C4=CC=NC=C4

Isomeric SMILES

COC1=CC=C(C=C1)COC(=O)C2=C(CSC3N2C(=O)C3N=[N+]=[N-])C4=CC=NC=C4

InChI

InChI=1S/C20H17N5O4S/c1-28-14-4-2-12(3-5-14)10-29-20(27)17-15(13-6-8-22-9-7-13)11-30-19-16(23-24-21)18(26)25(17)19/h2-9,16,19H,10-11H2,1H3