(4-methoxyphenyl)methyl (6R,7R)-8-oxidanylidene-7-(2-phenylethanoylamino)-3-(phenylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (4-methoxyphenyl)methyl (6R,7R)-8-oxidanylidene-7-(2-phenylethanoylamino)-3-(phenylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-methoxyphenyl)methyl (6R,7R)-3-benzyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7R)-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-3-(phenylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl (6R,7R)-3-benzyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7R)-3-benzyl-8-keto-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid p-anisyl ester Formula: C30H28N2O5S MolecularWeight: 528.61872

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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)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)COC(=O)C2=C(CS[C@H]3N2C(=O)[C@H]3NC(=O)CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C30H28N2O5S/c1-36-24-14-12-22(13-15-24)18-37-30(35)27-23(16-20-8-4-2-5-9-20)19-38-29-26(28(34)32(27)29)31-25(33)17-21-10-6-3-7-11-21/h2-15,26,29H,16-19H2,1H3,(H,31,33)/t26-,29-/m1/s1