8-oxidanylidene-7-(2-pyrazin-2-ylsulfanylethanoylamino)-3-(pyrazin-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 8-oxidanylidene-7-(2-pyrazin-2-ylsulfanylethanoylamino)-3-(pyrazin-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 8-oxo-7-[(2-pyrazin-2-ylsulfanylacetyl)amino]-3-(pyrazin-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 8-oxo-7-[[1-oxo-2-(2-pyrazinylthio)ethyl]amino]-3-[(2-pyrazinylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 8-oxo-7-[(2-pyrazin-2-ylsulfanylacetyl)amino]-3-(pyrazin-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-7-[[2-(pyrazin-2-ylthio)acetyl]amino]-3-[(pyrazin-2-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C18H16N6O4S3 MolecularWeight: 476.55244

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CSC3=NC=CN=C3)C(=O)O)CSC4=NC=CN=C4

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CSC3=NC=CN=C3)C(=O)O)CSC4=NC=CN=C4

InChI

InChI=1S/C18H16N6O4S3/c25-11(9-30-13-6-20-2-4-22-13)23-14-16(26)24-15(18(27)28)10(8-31-17(14)24)7-29-12-5-19-1-3-21-12/h1-6,14,17H,7-9H2,(H,23,25)(H,27,28)