phenacyl 7-acetamido-3-morpholin-4-yl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: phenacyl 7-acetamido-3-morpholin-4-yl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: phenacyl 7-acetamido-3-morpholino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-acetamido-3-(4-morpholinyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid phenacyl ester IUPAC Name: phenacyl 7-acetamido-3-morpholin-4-yl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-acetamido-8-keto-3-morpholino-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid phenacyl ester Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C2N(C1=O)C(=C(CS2)N3CCOCC3)C(=O)OCC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1C2N(C1=O)C(=C(CS2)N3CCOCC3)C(=O)OCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O6S/c1-13(25)22-17-19(27)24-18(15(12-31-20(17)24)23-7-9-29-10-8-23)21(28)30-11-16(26)14-5-3-2-4-6-14/h2-6,17,20H,7-12H2,1H3,(H,22,25)