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

Systemtic Name: (4-methoxyphenyl)methyl 8-oxidanylidene-7-(2-phenylethanoylamino)-3-sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-methoxyphenyl)methyl 8-oxo-7-[(2-phenylacetyl)amino]-3-sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-mercapto-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl 8-oxo-7-[(2-phenylacetyl)amino]-3-sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-3-mercapto-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid p-anisyl ester Formula: C23H22N2O5S2 MolecularWeight: 470.56118

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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=CC=C4)S

Isomeric SMILES

COC1=CC=C(C=C1)COC(=O)C2=C(CSC3N2C(=O)C3NC(=O)CC4=CC=CC=C4)S

InChI

InChI=1S/C23H22N2O5S2/c1-29-16-9-7-15(8-10-16)12-30-23(28)20-17(31)13-32-22-19(21(27)25(20)22)24-18(26)11-14-5-3-2-4-6-14/h2-10,19,22,31H,11-13H2,1H3,(H,24,26)