4-carbamoyl-1-({2-carboxy-8-oxo-7-[2-(thiophen-2-yl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl}methyl)pyridin-1-ium

CAS: 5575-21-3

Formula: C20H19N4O5S2

SMILES: NC(=O)C1=CC=[N+](CC2=C(N3C(SC2)C(NC(=O)CC2=CC=CS2)C3=O)C(O)=O)C=C1

IUPAC: 4-carbamoyl-1-({2-carboxy-8-oxo-7-[2-(thiophen-2-yl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl}methyl)pyridin-1-ium

InChI: InChI=1/C20H18N4O5S2/c21-17(26)11-3-5-23(6-4-11)9-12-10-31-19-15(18(27)24(19)16(12)20(28)29)22-14(25)8-13-2-1-7-30-13/h1-7,15,19H,8-10H2,(H3-,21,22,25,26,28,29)/p+1

Composition: C (52.28%), H (4.17%), N (12.19%), O (17.41%), S (13.95%)

Molar Mass: 459.51

Atom Count: 50

Heavy Atom Count: 31