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

Systemtic Name: 8-oxidanylidene-7-(2-pyridin-4-ylethanethioylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 8-oxo-7-[[2-(4-pyridyl)ethanethioyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 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: 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-7-[[2-(4-pyridyl)thioacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C14H13N3O3S2 MolecularWeight: 335.40132

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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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O3S2/c18-12-11(13-17(12)9(14(19)20)3-6-22-13)16-10(21)7-8-1-4-15-5-2-8/h1-5,11,13H,6-7H2,(H,16,21)(H,19,20)