sodium (6S,7R)-8-oxidanylidene-3-phenyl-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-phenyl-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-phenyl-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-phenyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: sodium (6S,7R)-8-oxo-3-phenyl-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-phenyl-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C19H15N2NaO4S2 MolecularWeight: 422.45317

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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=CC=C4.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C19H16N2O4S2.Na/c22-14(9-12-7-4-8-26-12)20-15-17(23)21-16(19(24)25)13(10-27-18(15)21)11-5-2-1-3-6-11;/h1-8,15,18H,9-10H2,(H,20,22)(H,24,25);/q;+1/p-1/t15-,18+;/m1./s1