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

Systemtic Name: 3-[2-(2-azanylethylsulfanylmethyl)pyridin-3-yl]sulfanyl-7-[[2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-(oxidanylamino)ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[[2-(2-aminoethylsulfanylmethyl)-3-pyridyl]sulfanyl]-7-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyamino)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[[2-[(2-aminoethylthio)methyl]-3-pyridinyl]thio]-7-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyamino)-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[2-(2-aminoethylsulfanylmethyl)pyridin-3-yl]sulfanyl-7-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyamino)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[[2-[(2-aminoethylthio)methyl]-3-pyridyl]thio]-7-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyamino)acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C19H22N8O5S4 MolecularWeight: 570.68858

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=NSC(=N3)N)NO)C(=O)O)SC4=C(N=CC=C4)CSCCN

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=NSC(=N3)N)NO)C(=O)O)SC4=C(N=CC=C4)CSCCN

InChI

InChI=1S/C19H22N8O5S4/c20-3-5-33-6-8-9(2-1-4-22-8)35-10-7-34-17-12(16(29)27(17)13(10)18(30)31)23-15(28)11(25-32)14-24-19(21)36-26-14/h1-2,4,11-12,17,25,32H,3,5-7,20H2,(H,23,28)(H,30,31)(H2,21,24,26)