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

Systemtic Name: (4-methoxyphenyl)methyl 7-azanyl-3-(4-methoxycarbonylphenyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-methoxyphenyl)methyl 7-amino-3-(4-methoxycarbonylphenyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-amino-3-(4-methoxycarbonylphenyl)-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-(4-methoxycarbonylphenyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-amino-3-(4-carbomethoxyphenyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid p-anisyl ester Formula: C23H22N2O6S MolecularWeight: 454.49558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC(=O)C2=C(CSC3N2C(=O)C3N)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)COC(=O)C2=C(CSC3N2C(=O)C3N)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C23H22N2O6S/c1-29-16-9-3-13(4-10-16)11-31-23(28)19-17(12-32-21-18(24)20(26)25(19)21)14-5-7-15(8-6-14)22(27)30-2/h3-10,18,21H,11-12,24H2,1-2H3