2-[2-ethyl-3-oxamoyl-1-(phenylmethyl)indol-4-yl]sulfanylethanoic acid

Systemtic Name: 2-[2-ethyl-3-oxamoyl-1-(phenylmethyl)indol-4-yl]sulfanylethanoic acid Openeye Name: 2-(1-benzyl-2-ethyl-3-oxamoyl-indol-4-yl)sulfanylacetic acid CAS Name: 2-[[2-ethyl-3-oxamoyl-1-(phenylmethyl)-4-indolyl]thio]acetic acid IUPAC Name: 2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)sulfanylacetic acid Traditional Name: 2-[(1-benzyl-2-ethyl-3-oxamoyl-indol-4-yl)thio]acetic acid Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2SCC(=O)O)C(=O)C(=O)N

Isomeric SMILES

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2SCC(=O)O)C(=O)C(=O)N

InChI

InChI=1S/C21H20N2O4S/c1-2-14-19(20(26)21(22)27)18-15(9-6-10-16(18)28-12-17(24)25)23(14)11-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H2,22,27)(H,24,25)