7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-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-carboxylic acid

Systemtic Name: 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-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-carboxylic acid 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-methoxyimino-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[(6-acetyl-8-chloro-2-pyrrolo[1,2-a]pyrazin-2-iumyl)methyl]-7-[[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 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-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 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-methyloximino-acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C23H21ClN7O6S2+ MolecularWeight: 591.03914

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C2N1C=C[N+](=C2)CC3=C(N4C(C(C4=O)NC(=O)C(=NOC)C5=CSC(=N5)N)SC3)C(=O)O)Cl

Isomeric SMILES

CC(=O)C1=CC(=C2N1C=C[N+](=C2)CC3=C(N4C(C(C4=O)NC(=O)/C(=N/OC)/C5=CSC(=N5)N)SC3)C(=O)O)Cl

InChI

InChI=1S/C23H20ClN7O6S2/c1-10(32)14-5-12(24)15-7-29(3-4-30(14)15)6-11-8-38-21-17(20(34)31(21)18(11)22(35)36)27-19(33)16(28-37-2)13-9-39-23(25)26-13/h3-5,7,9,17,21H,6,8H2,1-2H3,(H3-,25,26,27,33,35,36)/p+1/b28-16+