sodium 2-[7-ethyl-3-methyl-8-oxamoyl-6-[(2-thiophen-2-ylphenyl)methyl]pyrrolo[1,2-a]pyrazin-1-yl]oxyethanoate

Systemtic Name: sodium 2-[7-ethyl-3-methyl-8-oxamoyl-6-[(2-thiophen-2-ylphenyl)methyl]pyrrolo[1,2-a]pyrazin-1-yl]oxyethanoate Openeye Name: sodium 2-[7-ethyl-3-methyl-8-oxamoyl-6-[[2-(2-thienyl)phenyl]methyl]pyrrolo[1,2-a]pyrazin-1-yl]oxyacetate CAS Name: sodium 2-[[7-ethyl-3-methyl-8-oxamoyl-6-[(2-thiophen-2-ylphenyl)methyl]-1-pyrrolo[1,2-a]pyrazinyl]oxy]acetate IUPAC Name: sodium 2-[7-ethyl-3-methyl-8-oxamoyl-6-[(2-thiophen-2-ylphenyl)methyl]pyrrolo[1,2-a]pyrazin-1-yl]oxyacetate Traditional Name: sodium 2-[7-ethyl-3-methyl-8-oxamoyl-6-[2-(2-thienyl)benzyl]pyrrolo[1,2-a]pyrazin-1-yl]oxyacetate Formula: C25H22N3NaO5S MolecularWeight: 499.51405

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N2C=C(N=C(C2=C1C(=O)C(=O)N)OCC(=O)[O-])C)CC3=CC=CC=C3C4=CC=CS4.[Na+]

Isomeric SMILES

CCC1=C(N2C=C(N=C(C2=C1C(=O)C(=O)N)OCC(=O)[O-])C)CC3=CC=CC=C3C4=CC=CS4.[Na+]

InChI

InChI=1S/C25H23N3O5S.Na/c1-3-16-18(11-15-7-4-5-8-17(15)19-9-6-10-34-19)28-12-14(2)27-25(33-13-20(29)30)22(28)21(16)23(31)24(26)32;/h4-10,12H,3,11,13H2,1-2H3,(H2,26,32)(H,29,30);/q;+1/p-1