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

Systemtic Name: (4-methoxyphenyl)methyl 7-azido-3-(4-cyanophenyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-methoxyphenyl)methyl 7-azido-3-(4-cyanophenyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-azido-3-(4-cyanophenyl)-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-azido-3-(4-cyanophenyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-azido-3-(4-cyanophenyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid p-anisyl ester Formula: C22H17N5O4S MolecularWeight: 447.46648

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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=C(C=C4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C22H17N5O4S/c1-30-16-8-4-14(5-9-16)11-31-22(29)19-17(15-6-2-13(10-23)3-7-15)12-32-21-18(25-26-24)20(28)27(19)21/h2-9,18,21H,11-12H2,1H3