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

Systemtic Name: 8-oxidanylidene-4-(1-pyridin-4-ylsulfanylethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 8-oxo-4-[1-(4-pyridylsulfanyl)ethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 8-oxo-4-[1-(pyridin-4-ylthio)ethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 8-oxo-4-(1-pyridin-4-ylsulfanylethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-4-[1-(4-pyridylthio)ethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C14H14N2O3S2 MolecularWeight: 322.40256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C=C(N2C(S1)CC2=O)C(=O)O)SC3=CC=NC=C3

Isomeric SMILES

CC(C1C=C(N2C(S1)CC2=O)C(=O)O)SC3=CC=NC=C3

InChI

InChI=1S/C14H14N2O3S2/c1-8(20-9-2-4-15-5-3-9)11-6-10(14(18)19)16-12(17)7-13(16)21-11/h2-6,8,11,13H,7H2,1H3,(H,18,19)