3-(hydroxymethyl)-8-oxidanylidene-7-(2-pyridin-4-ylethanethioylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(hydroxymethyl)-8-oxidanylidene-7-(2-pyridin-4-ylethanethioylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(hydroxymethyl)-8-oxo-7-[[2-(4-pyridyl)ethanethioyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(hydroxymethyl)-8-oxo-7-[(2-pyridin-4-yl-1-sulfanylideneethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(hydroxymethyl)-8-oxo-7-[(2-pyridin-4-ylethanethioyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-3-methylol-7-[[2-(4-pyridyl)thioacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H15N3O4S2 MolecularWeight: 365.4273

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=S)CC3=CC=NC=C3)C(=O)O)CO

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=S)CC3=CC=NC=C3)C(=O)O)CO

InChI

InChI=1S/C15H15N3O4S2/c19-6-9-7-24-14-11(13(20)18(14)12(9)15(21)22)17-10(23)5-8-1-3-16-4-2-8/h1-4,11,14,19H,5-7H2,(H,17,23)(H,21,22)