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

Systemtic Name: 3-morpholin-4-yl-8-oxidanylidene-7-(3-phenylpropanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-morpholino-8-oxo-7-(3-phenylpropanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(4-morpholinyl)-8-oxo-7-[(1-oxo-3-phenylpropyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-morpholin-4-yl-8-oxo-7-(3-phenylpropanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-(hydrocinnamoylamino)-8-keto-3-morpholino-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(N3C(C(C3=O)NC(=O)CCC4=CC=CC=C4)SC2)C(=O)O

Isomeric SMILES

C1COCCN1C2=C(N3C(C(C3=O)NC(=O)CCC4=CC=CC=C4)SC2)C(=O)O

InChI

InChI=1S/C20H23N3O5S/c24-15(7-6-13-4-2-1-3-5-13)21-16-18(25)23-17(20(26)27)14(12-29-19(16)23)22-8-10-28-11-9-22/h1-5,16,19H,6-12H2,(H,21,24)(H,26,27)