3-(3,4-dihydro-2H-pyran-6-yl)-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-yl)-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-yl)-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-yl)-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-yl)-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-yl)-8-keto-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C20H19N2O5S- MolecularWeight: 399.44026

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=C(OC1)C2=C(N3C(C(C3=O)NC(=O)CC4=CC=CC=C4)SC2)C(=O)[O-]

Isomeric SMILES

C1CC=C(OC1)C2=C(N3C(C(C3=O)NC(=O)CC4=CC=CC=C4)SC2)C(=O)[O-]

InChI

InChI=1S/C20H20N2O5S/c23-15(10-12-6-2-1-3-7-12)21-16-18(24)22-17(20(25)26)13(11-28-19(16)22)14-8-4-5-9-27-14/h1-3,6-8,16,19H,4-5,9-11H2,(H,21,23)(H,25,26)/p-1