sodium (6R,7R)-3-(hydroxymethyl)-8-oxo-7-[2-(pyridin-4-ylsulfanyl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

CAS: 104557-24-6

Formula: C15H14N3NaO5S2

SMILES: [Na+].[H][C@]12SCC(CO)=C(N1C(=O)[C@H]2NC(=O)CSC1=CC=NC=C1)C([O-])=O

IUPAC: sodium (6R,7R)-3-(hydroxymethyl)-8-oxo-7-[2-(pyridin-4-ylsulfanyl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

InChI: InChI=1S/C15H15N3O5S2.Na/c19-5-8-6-25-14-11(13(21)18(14)12(8)15(22)23)17-10(20)7-24-9-1-3-16-4-2-9;/h1-4,11,14,19H,5-7H2,(H,17,20)(H,22,23);/q;+1/p-1/t11-,14-;/m1./s1

Composition: C (44.66%), H (3.50%), N (10.42%), Na (5.70%), O (19.83%), S (15.89%)

Molar Mass: 403.4

Atom Count: 40

Heavy Atom Count: 26