3-[(6-aminocarbonyl-1-methyl-pyrrolo[1,2-a]pyrazin-5-ium-2-yl)methyl]-7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-ethoxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 3-[(6-aminocarbonyl-1-methyl-pyrrolo[1,2-a]pyrazin-5-ium-2-yl)methyl]-7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-ethoxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-ethoxyimino-acetyl]amino]-3-[(6-carbamoyl-1-methyl-pyrrolo[1,2-a]pyrazin-5-ium-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-ethoxyimino-1-oxoethyl]amino]-3-[(6-carbamoyl-1-methyl-2-pyrrolo[1,2-a]pyrazin-5-iumyl)methyl]-8-oxo-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-ethoxyiminoacetyl]amino]-3-[(6-carbamoyl-1-methylpyrrolo[1,2-a]pyrazin-5-ium-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-ethyloximino-acetyl]amino]-3-[(6-carbamoyl-1-methyl-pyrrolo[1,2-a]pyrazin-5-ium-2-yl)methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C24H24N8O6S2 MolecularWeight: 584.62736

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Descriptors Computed from Structure

Canonical SMILES:

CCON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)CN4C=C[N+]5=C(C=CC5=C4C)C(=O)N)C(=O)[O-]

Isomeric SMILES

CCO/N=C(\C1=CSC(=N1)N)/C(=O)NC2C3N(C2=O)C(=C(CS3)CN4C=C[N+]5=C(C=CC5=C4C)C(=O)N)C(=O)[O-]

InChI

InChI=1S/C24H24N8O6S2/c1-3-38-29-16(13-10-40-24(26)27-13)20(34)28-17-21(35)32-18(23(36)37)12(9-39-22(17)32)8-30-6-7-31-14(11(30)2)4-5-15(31)19(25)33/h4-7,10,17,22H,3,8-9H2,1-2H3,(H5-,25,26,27,28,33,34,36,37)/b29-16+