8-oxidanylidene-3-[(E)-4-phenylbut-1-en-3-ynyl]-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 8-oxidanylidene-3-[(E)-4-phenylbut-1-en-3-ynyl]-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 8-oxo-3-[(E)-4-phenylbut-1-en-3-ynyl]-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-[(E)-4-phenylbut-1-en-3-ynyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 8-oxo-3-[(E)-4-phenylbut-1-en-3-ynyl]-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-3-[(E)-4-phenylbut-1-en-3-ynyl]-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C23H17N2O4S2- MolecularWeight: 449.52208

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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-])C=CC#CC4=CC=CC=C4

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CS3)C(=O)[O-])/C=C/C#CC4=CC=CC=C4

InChI

InChI=1S/C23H18N2O4S2/c26-18(13-17-11-6-12-30-17)24-19-21(27)25-20(23(28)29)16(14-31-22(19)25)10-5-4-9-15-7-2-1-3-8-15/h1-3,5-8,10-12,19,22H,13-14H2,(H,24,26)(H,28,29)/p-1/b10-5+