7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-ethoxyimino-ethanoyl]amino]-3-[(8-chloranyl-6-ethanoyl-pyrrolo[1,2-a]pyrazin-2-ium-2-yl)methyl]-8-oxidanylidene-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-ethoxyimino-ethanoyl]amino]-3-[(8-chloranyl-6-ethanoyl-pyrrolo[1,2-a]pyrazin-2-ium-2-yl)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 3-[(6-acetyl-8-chloro-pyrrolo[1,2-a]pyrazin-2-ium-2-yl)methyl]-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-ethoxyimino-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-[(6-acetyl-8-chloro-2-pyrrolo[1,2-a]pyrazin-2-iumyl)methyl]-7-[[(2E)-2-(2-amino-4-thiazolyl)-2-ethoxyimino-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 3-[(6-acetyl-8-chloropyrrolo[1,2-a]pyrazin-2-ium-2-yl)methyl]-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-[(6-acetyl-8-chloro-pyrrolo[1,2-a]pyrazin-2-ium-2-yl)methyl]-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-ethyloximino-acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C24H22ClN7O6S2 MolecularWeight: 604.05778

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Descriptors Computed from Structure

Canonical SMILES:

CCON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC5=C(C=C(N5C=C4)C(=O)C)Cl)C(=O)[O-]

Isomeric SMILES

CCO/N=C(\C1=CSC(=N1)N)/C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC5=C(C=C(N5C=C4)C(=O)C)Cl)C(=O)[O-]

InChI

InChI=1S/C24H22ClN7O6S2/c1-3-38-29-17(14-10-40-24(26)27-14)20(34)28-18-21(35)32-19(23(36)37)12(9-39-22(18)32)7-30-4-5-31-15(11(2)33)6-13(25)16(31)8-30/h4-6,8,10,18,22H,3,7,9H2,1-2H3,(H3-,26,27,28,34,36,37)/b29-17+