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

Systemtic Name: (4-methoxyphenyl)methyl 8-oxidanylidene-3-pyridin-4-yl-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-methoxyphenyl)methyl 8-oxo-3-(4-pyridyl)-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-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 8-oxo-3-pyridin-4-yl-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-3-(4-pyridyl)-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid p-anisyl ester Formula: C26H23N3O5S2 MolecularWeight: 521.60792

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC(=O)C2=C(CSC3N2C(=O)C3NC(=O)CC4=CC=CS4)C5=CC=NC=C5

Isomeric SMILES

COC1=CC=C(C=C1)COC(=O)C2=C(CSC3N2C(=O)C3NC(=O)CC4=CC=CS4)C5=CC=NC=C5

InChI

InChI=1S/C26H23N3O5S2/c1-33-18-6-4-16(5-7-18)14-34-26(32)23-20(17-8-10-27-11-9-17)15-36-25-22(24(31)29(23)25)28-21(30)13-19-3-2-12-35-19/h2-12,22,25H,13-15H2,1H3,(H,28,30)