7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-ethoxyimino-ethanoyl]amino]-3-[(6-ethanoylpyrrolo[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-ethoxyimino-ethanoyl]amino]-3-[(6-ethanoylpyrrolo[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-acetylpyrrolo[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-carboxylic acid CAS Name: 3-[(6-acetyl-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-carboxylic acid IUPAC Name: 3-[(6-acetylpyrrolo[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-carboxylic acid Traditional Name: 3-[(6-acetylpyrrolo[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-carboxylic acid Formula: C24H24N7O6S2+ MolecularWeight: 570.62066

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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=CC=C(N5C=C4)C(=O)C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C24H23N7O6S2/c1-3-37-28-17(15-11-39-24(25)26-15)20(33)27-18-21(34)31-19(23(35)36)13(10-38-22(18)31)8-29-6-7-30-14(9-29)4-5-16(30)12(2)32/h4-7,9,11,18,22H,3,8,10H2,1-2H3,(H3-,25,26,27,33,35,36)/p+1/b28-17+