methyl (6R,7R)-3-[(5R)-4,5-dihydro-1,2-oxazol-5-yl]-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: methyl (6R,7R)-3-[(5R)-4,5-dihydro-1,2-oxazol-5-yl]-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: methyl (6R,7R)-3-[(5R)-4,5-dihydroisoxazol-5-yl]-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7R)-3-[(5R)-4,5-dihydroisoxazol-5-yl]-8-oxo-7-[(1-oxo-2-phenoxyethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester IUPAC Name: methyl (6R,7R)-3-[(5R)-4,5-dihydro-1,2-oxazol-5-yl]-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7R)-3-[(5R)-2-isoxazolin-5-yl]-8-keto-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester Formula: C19H19N3O6S MolecularWeight: 417.43566

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(CSC2N1C(=O)C2NC(=O)COC3=CC=CC=C3)C4CC=NO4

Isomeric SMILES

COC(=O)C1=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)COC3=CC=CC=C3)[C@H]4CC=NO4

InChI

InChI=1S/C19H19N3O6S/c1-26-19(25)16-12(13-7-8-20-28-13)10-29-18-15(17(24)22(16)18)21-14(23)9-27-11-5-3-2-4-6-11/h2-6,8,13,15,18H,7,9-10H2,1H3,(H,21,23)/t13-,15-,18-/m1/s1