potassium; ethanoic acid; 3-(hydroxymethyl)-8-oxidanylidene-7-(2-pyridin-3-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; hydrate

Systemtic Name: potassium; ethanoic acid; 3-(hydroxymethyl)-8-oxidanylidene-7-(2-pyridin-3-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; hydrate Openeye Name: potassium; acetic acid; 3-(hydroxymethyl)-8-oxo-7-[[2-(3-pyridyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; hydrate CAS Name: potassium; acetic acid; 3-(hydroxymethyl)-8-oxo-7-[[1-oxo-2-(3-pyridinyl)ethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; hydrate IUPAC Name: potassium; acetic acid; 3-(hydroxymethyl)-8-oxo-7-[(2-pyridin-3-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; hydrate Traditional Name: potassium; acetic acid; 8-keto-3-methylol-7-[[2-(3-pyridyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; hydrate Formula: C17H21KN3O8S+ MolecularWeight: 466.52724

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CN=CC=C3)C(=O)O)CO.O.[K+]

Isomeric SMILES

CC(=O)O.C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CN=CC=C3)C(=O)O)CO.O.[K+]

InChI

InChI=1S/C15H15N3O5S.C2H4O2.K.H2O/c19-6-9-7-24-14-11(13(21)18(14)12(9)15(22)23)17-10(20)4-8-2-1-3-16-5-8;1-2(3)4;;/h1-3,5,11,14,19H,4,6-7H2,(H,17,20)(H,22,23);1H3,(H,3,4);;1H2/q;;+1;