7-[[2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-yl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-yl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[2-(2-aminothiazol-4-yl)-2-methyloximino-acetyl]amino]-8-keto-3-(1-pyrindan-1-ium-1-yl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C21H21N6O5S2+ MolecularWeight: 501.55864

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Descriptors Computed from Structure

Canonical SMILES:

CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)[N+]4=CC=CC5=C4CCC5)C(=O)O

Isomeric SMILES

CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)[N+]4=CC=CC5=C4CCC5)C(=O)O

InChI

InChI=1S/C21H20N6O5S2/c1-32-25-14(11-8-34-21(22)23-11)17(28)24-15-18(29)27-16(20(30)31)13(9-33-19(15)27)26-7-3-5-10-4-2-6-12(10)26/h3,5,7-8,15,19H,2,4,6,9H2,1H3,(H3-,22,23,24,28,30,31)/p+1