3-(oxan-4-yl)-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 3-(oxan-4-yl)-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 8-oxo-7-[(2-phenylacetyl)amino]-3-tetrahydropyran-4-yl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(4-oxanyl)-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 3-(oxan-4-yl)-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-7-[(2-phenylacetyl)amino]-3-tetrahydropyran-4-yl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C20H21N2O5S- MolecularWeight: 401.45614

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1C2=C(N3C(C(C3=O)NC(=O)CC4=CC=CC=C4)SC2)C(=O)[O-]

Isomeric SMILES

C1COCCC1C2=C(N3C(C(C3=O)NC(=O)CC4=CC=CC=C4)SC2)C(=O)[O-]

InChI

InChI=1S/C20H22N2O5S/c23-15(10-12-4-2-1-3-5-12)21-16-18(24)22-17(20(25)26)14(11-28-19(16)22)13-6-8-27-9-7-13/h1-5,13,16,19H,6-11H2,(H,21,23)(H,25,26)/p-1