3-[[5-(2-azanylethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-7-[[2-(6-azanylpyridin-2-yl)-2-(oxidanylamino)ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-[[5-(2-azanylethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-7-[[2-(6-azanylpyridin-2-yl)-2-(oxidanylamino)ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[[5-(2-aminoethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-7-[[2-(6-amino-2-pyridyl)-2-(hydroxyamino)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[[5-(2-aminoethylthio)-1,3,4-thiadiazol-2-yl]thio]-7-[[2-(6-amino-2-pyridinyl)-2-(hydroxyamino)-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[[5-(2-aminoethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-7-[[2-(6-aminopyridin-2-yl)-2-(hydroxyamino)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[[5-(2-aminoethylthio)-1,3,4-thiadiazol-2-yl]thio]-7-[[2-(6-amino-2-pyridyl)-2-(hydroxyamino)acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C18H20N8O5S4 MolecularWeight: 556.662

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=NC(=CC=C3)N)NO)C(=O)O)SC4=NN=C(S4)SCCN

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=NC(=CC=C3)N)NO)C(=O)O)SC4=NN=C(S4)SCCN

InChI

InChI=1S/C18H20N8O5S4/c19-4-5-32-17-23-24-18(35-17)34-8-6-33-15-11(14(28)26(15)12(8)16(29)30)22-13(27)10(25-31)7-2-1-3-9(20)21-7/h1-3,10-11,15,25,31H,4-6,19H2,(H2,20,21)(H,22,27)(H,29,30)