7-[[(2E)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-ethoxyimino-ethanoyl]amino]-3-(imidazo[1,2-b]pyrazol-5-ylmethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2E)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-ethoxyimino-ethanoyl]amino]-3-(imidazo[1,2-b]pyrazol-5-ylmethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyimino-acetyl]amino]-3-(imidazo[1,2-b]pyrazol-5-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyimino-1-oxoethyl]amino]-3-(5-imidazo[1,2-b]pyrazolylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetyl]amino]-3-(imidazo[1,2-b]pyrazol-5-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethyloximino-acetyl]amino]-3-(imidazo[1,2-b]pyrazol-5-ylmethyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C19H19N9O5S2 MolecularWeight: 517.54146

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Descriptors Computed from Structure

Canonical SMILES:

CCON=C(C1=NSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)CN4C=CC5=NC=CN54)C(=O)O

Isomeric SMILES

CCO/N=C(\C1=NSC(=N1)N)/C(=O)NC2C3N(C2=O)C(=C(CS3)CN4C=CC5=NC=CN54)C(=O)O

InChI

InChI=1S/C19H19N9O5S2/c1-2-33-24-11(14-23-19(20)35-25-14)15(29)22-12-16(30)28-13(18(31)32)9(8-34-17(12)28)7-26-5-3-10-21-4-6-27(10)26/h3-6,12,17H,2,7-8H2,1H3,(H,22,29)(H,31,32)(H2,20,23,25)/b24-11+