8-oxidanylidene-4-prop-2-ynylsulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 8-oxidanylidene-4-prop-2-ynylsulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 8-oxo-4-prop-2-ynylsulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 8-oxo-4-(prop-2-ynylthio)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 8-oxo-4-prop-2-ynylsulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-4-(propargylthio)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C10H9NO3S2 MolecularWeight: 255.31336

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1C=C(N2C(S1)CC2=O)C(=O)O

Isomeric SMILES

C#CCSC1C=C(N2C(S1)CC2=O)C(=O)O

InChI

InChI=1S/C10H9NO3S2/c1-2-3-15-9-4-6(10(13)14)11-7(12)5-8(11)16-9/h1,4,8-9H,3,5H2,(H,13,14)