8-oxidanylidene-3-(5-phenyl-2H-1,3-oxazol-3-yl)-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 8-oxidanylidene-3-(5-phenyl-2H-1,3-oxazol-3-yl)-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 8-oxo-3-(5-phenyl-2H-oxazol-3-yl)-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-3-(5-phenyl-2H-oxazol-3-yl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 8-oxo-3-(5-phenyl-2H-1,3-oxazol-3-yl)-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-3-(5-phenyl-4-oxazolin-3-yl)-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C22H18N3O5S2- MolecularWeight: 468.52542

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CS3)C(=O)[O-])N4COC(=C4)C5=CC=CC=C5

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CS3)C(=O)[O-])N4COC(=C4)C5=CC=CC=C5

InChI

InChI=1S/C22H19N3O5S2/c26-17(9-14-7-4-8-31-14)23-18-20(27)25-19(22(28)29)15(11-32-21(18)25)24-10-16(30-12-24)13-5-2-1-3-6-13/h1-8,10,18,21H,9,11-12H2,(H,23,26)(H,28,29)/p-1