7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-3-(4H-[1,3]thiazolo[4,5-c]pyridin-3-ium-5-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-3-(4H-[1,3]thiazolo[4,5-c]pyridin-3-ium-5-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-8-oxo-3-(4H-thiazolo[4,5-c]pyridin-3-ium-5-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-8-oxo-3-(4H-thiazolo[4,5-c]pyridin-3-ium-5-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-(4H-[1,3]thiazolo[4,5-c]pyridin-3-ium-5-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methyloximino-acetyl]amino]-8-keto-3-(4H-thiazolo[4,5-c]pyridin-3-ium-5-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C20H19N7O5S3 MolecularWeight: 533.60376

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Descriptors Computed from Structure

Canonical SMILES:

CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)CN4CC5=C(C=C4)SC=[NH+]5)C(=O)[O-]

Isomeric SMILES

CO/N=C(\C1=CSC(=N1)N)/C(=O)NC2C3N(C2=O)C(=C(CS3)CN4CC5=C(C=C4)SC=[NH+]5)C(=O)[O-]

InChI

InChI=1S/C20H19N7O5S3/c1-32-25-13(11-7-34-20(21)23-11)16(28)24-14-17(29)27-15(19(30)31)9(6-33-18(14)27)4-26-3-2-12-10(5-26)22-8-35-12/h2-3,7-8,14,18H,4-6H2,1H3,(H2,21,23)(H,24,28)(H,30,31)/b25-13+