methyl 3-morpholin-4-yl-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: methyl 3-morpholin-4-yl-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: methyl 3-morpholino-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(4-morpholinyl)-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 3-morpholin-4-yl-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-3-morpholino-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(CSC2N1C(=O)C2NC(=O)COC3=CC=CC=C3)N4CCOCC4

Isomeric SMILES

COC(=O)C1=C(CSC2N1C(=O)C2NC(=O)COC3=CC=CC=C3)N4CCOCC4

InChI

InChI=1S/C20H23N3O6S/c1-27-20(26)17-14(22-7-9-28-10-8-22)12-30-19-16(18(25)23(17)19)21-15(24)11-29-13-5-3-2-4-6-13/h2-6,16,19H,7-12H2,1H3,(H,21,24)