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

Systemtic Name: 2-[7-ethyl-3-methyl-8-oxamoyl-6-[(2-thiophen-3-ylphenyl)methyl]pyrrolo[1,2-a]pyrazin-1-yl]oxyethanoic acid Openeye Name: 2-[7-ethyl-3-methyl-8-oxamoyl-6-[[2-(3-thienyl)phenyl]methyl]pyrrolo[1,2-a]pyrazin-1-yl]oxyacetic acid CAS Name: 2-[[7-ethyl-3-methyl-8-oxamoyl-6-[[2-(3-thiophenyl)phenyl]methyl]-1-pyrrolo[1,2-a]pyrazinyl]oxy]acetic acid IUPAC Name: 2-[7-ethyl-3-methyl-8-oxamoyl-6-[(2-thiophen-3-ylphenyl)methyl]pyrrolo[1,2-a]pyrazin-1-yl]oxyacetic acid Traditional Name: 2-[7-ethyl-3-methyl-8-oxamoyl-6-[2-(3-thienyl)benzyl]pyrrolo[1,2-a]pyrazin-1-yl]oxyacetic acid Formula: C25H23N3O5S MolecularWeight: 477.53222

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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=CSC=C4

Isomeric SMILES

CCC1=C(N2C=C(N=C(C2=C1C(=O)C(=O)N)OCC(=O)O)C)CC3=CC=CC=C3C4=CSC=C4

InChI

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