2-[2-methylsulfanyl-1-oxamoyl-3-[(2-phenylphenyl)methyl]indolizin-8-yl]oxyethanoic acid

Systemtic Name: 2-[2-methylsulfanyl-1-oxamoyl-3-[(2-phenylphenyl)methyl]indolizin-8-yl]oxyethanoic acid Openeye Name: 2-[2-methylsulfanyl-1-oxamoyl-3-[(2-phenylphenyl)methyl]indolizin-8-yl]oxyacetic acid CAS Name: 2-[[2-(methylthio)-1-oxamoyl-3-[(2-phenylphenyl)methyl]-8-indolizinyl]oxy]acetic acid IUPAC Name: 2-[2-methylsulfanyl-1-oxamoyl-3-[(2-phenylphenyl)methyl]indolizin-8-yl]oxyacetic acid Traditional Name: 2-[2-(methylthio)-1-oxamoyl-3-(2-phenylbenzyl)indolizin-8-yl]oxyacetic acid Formula: C26H22N2O5S MolecularWeight: 474.52828

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(N2C=CC=C(C2=C1C(=O)C(=O)N)OCC(=O)O)CC3=CC=CC=C3C4=CC=CC=C4

Isomeric SMILES

CSC1=C(N2C=CC=C(C2=C1C(=O)C(=O)N)OCC(=O)O)CC3=CC=CC=C3C4=CC=CC=C4

InChI

InChI=1S/C26H22N2O5S/c1-34-25-19(14-17-10-5-6-11-18(17)16-8-3-2-4-9-16)28-13-7-12-20(33-15-21(29)30)23(28)22(25)24(31)26(27)32/h2-13H,14-15H2,1H3,(H2,27,32)(H,29,30)