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

Systemtic Name: (4-methoxyphenyl)methyl 8-oxidanylidene-7-(2-phenylethanoylamino)-3-prop-2-ynylsulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-methoxyphenyl)methyl 8-oxo-7-[(2-phenylacetyl)amino]-3-prop-2-ynylsulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 8-oxo-7-[(1-oxo-2-phenylethyl)amino]-3-(prop-2-ynylthio)-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-prop-2-ynylsulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-7-[(2-phenylacetyl)amino]-3-(propargylthio)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid p-anisyl ester Formula: C26H24N2O5S2 MolecularWeight: 508.60916

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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)SCC#C

Isomeric SMILES

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

InChI

InChI=1S/C26H24N2O5S2/c1-3-13-34-20-16-35-25-22(27-21(29)14-17-7-5-4-6-8-17)24(30)28(25)23(20)26(31)33-15-18-9-11-19(32-2)12-10-18/h1,4-12,22,25H,13-16H2,2H3,(H,27,29)