8-oxidanylidene-3-(2H-pyridin-1-ylmethyl)-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 8-oxidanylidene-3-(2H-pyridin-1-ylmethyl)-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 8-oxo-3-(2H-pyridin-1-ylmethyl)-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-(2H-pyridin-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 8-oxo-3-(2H-pyridin-1-ylmethyl)-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-3-(2H-pyridin-1-ylmethyl)-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C19H18N3O4S2- MolecularWeight: 416.49392

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=CN1CC2=C(N3C(C(C3=O)NC(=O)CC4=CC=CS4)SC2)C(=O)[O-]

Isomeric SMILES

C1C=CC=CN1CC2=C(N3C(C(C3=O)NC(=O)CC4=CC=CS4)SC2)C(=O)[O-]

InChI

InChI=1S/C19H19N3O4S2/c23-14(9-13-5-4-8-27-13)20-15-17(24)22-16(19(25)26)12(11-28-18(15)22)10-21-6-2-1-3-7-21/h1-6,8,15,18H,7,9-11H2,(H,20,23)(H,25,26)/p-1