3-[3-(2-azanylethylsulfanyl)pyridin-4-yl]sulfanyl-7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-[3-(2-azanylethylsulfanyl)pyridin-4-yl]sulfanyl-7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[[3-(2-aminoethylsulfanyl)-4-pyridyl]sulfanyl]-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-hydroxyimino-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[[3-(2-aminoethylthio)-4-pyridinyl]thio]-7-[[(2E)-2-(2-amino-4-thiazolyl)-2-hydroxyimino-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[3-(2-aminoethylsulfanyl)pyridin-4-yl]sulfanyl-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[[3-(2-aminoethylthio)-4-pyridyl]thio]-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-hydroximino-acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C19H19N7O5S4 MolecularWeight: 553.65806

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(=NO)C3=CSC(=N3)N)C(=O)O)SC4=C(C=NC=C4)SCCN

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)/C(=N/O)/C3=CSC(=N3)N)C(=O)O)SC4=C(C=NC=C4)SCCN

InChI

InChI=1S/C19H19N7O5S4/c20-2-4-32-10-5-22-3-1-9(10)35-11-7-33-17-13(16(28)26(17)14(11)18(29)30)24-15(27)12(25-31)8-6-34-19(21)23-8/h1,3,5-6,13,17,31H,2,4,7,20H2,(H2,21,23)(H,24,27)(H,29,30)/b25-12+