sodium (6S,7R)-8-oxidanylidene-3-pyridin-4-yl-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: sodium (6S,7R)-8-oxidanylidene-3-pyridin-4-yl-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: sodium (6S,7R)-8-oxo-3-(4-pyridyl)-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: sodium (6S,7R)-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-3-pyridin-4-yl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: sodium (6S,7R)-8-oxo-3-pyridin-4-yl-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: sodium (6S,7R)-8-keto-3-(4-pyridyl)-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C18H14N3NaO4S2 MolecularWeight: 423.44123

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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-])C4=CC=NC=C4.[Na+]

Isomeric SMILES

C1C(=C(N2[C@@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CS3)C(=O)[O-])C4=CC=NC=C4.[Na+]

InChI

InChI=1S/C18H15N3O4S2.Na/c22-13(8-11-2-1-7-26-11)20-14-16(23)21-15(18(24)25)12(9-27-17(14)21)10-3-5-19-6-4-10;/h1-7,14,17H,8-9H2,(H,20,22)(H,24,25);/q;+1/p-1/t14-,17+;/m1./s1