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

Systemtic Name: 3-morpholin-4-yl-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-morpholino-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 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 IUPAC Name: 3-morpholin-4-yl-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-3-morpholino-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(N3C(C(C3=O)NC(=O)COC4=CC=CC=C4)SC2)C(=O)O

Isomeric SMILES

C1COCCN1C2=C(N3C(C(C3=O)NC(=O)COC4=CC=CC=C4)SC2)C(=O)O

InChI

InChI=1S/C19H21N3O6S/c23-14(10-28-12-4-2-1-3-5-12)20-15-17(24)22-16(19(25)26)13(11-29-18(15)22)21-6-8-27-9-7-21/h1-5,15,18H,6-11H2,(H,20,23)(H,25,26)