3-(3,4-dihydro-2H-pyran-6-ylmethyl)-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 3-(3,4-dihydro-2H-pyran-6-ylmethyl)-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 3-(3,4-dihydro-2H-pyran-6-ylmethyl)-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(3,4-dihydro-2H-pyran-6-ylmethyl)-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 3-(3,4-dihydro-2H-pyran-6-ylmethyl)-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-(3,4-dihydro-2H-pyran-6-ylmethyl)-8-keto-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C21H21N2O5S- MolecularWeight: 413.46684

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=C(OC1)CC2=C(N3C(C(C3=O)NC(=O)CC4=CC=CC=C4)SC2)C(=O)[O-]

Isomeric SMILES

C1CC=C(OC1)CC2=C(N3C(C(C3=O)NC(=O)CC4=CC=CC=C4)SC2)C(=O)[O-]

InChI

InChI=1S/C21H22N2O5S/c24-16(10-13-6-2-1-3-7-13)22-17-19(25)23-18(21(26)27)14(12-29-20(17)23)11-15-8-4-5-9-28-15/h1-3,6-8,17,20H,4-5,9-12H2,(H,22,24)(H,26,27)/p-1