4-[2-ethyl-3-oxamoyl-1-(phenylmethyl)indol-5-yl]sulfanylbutanoic acid

Systemtic Name: 4-[2-ethyl-3-oxamoyl-1-(phenylmethyl)indol-5-yl]sulfanylbutanoic acid Openeye Name: 4-(1-benzyl-2-ethyl-3-oxamoyl-indol-5-yl)sulfanylbutanoic acid CAS Name: 4-[[2-ethyl-3-oxamoyl-1-(phenylmethyl)-5-indolyl]thio]butanoic acid IUPAC Name: 4-(1-benzyl-2-ethyl-3-oxamoylindol-5-yl)sulfanylbutanoic acid Traditional Name: 4-[(1-benzyl-2-ethyl-3-oxamoyl-indol-5-yl)thio]butyric acid Formula: C23H24N2O4S MolecularWeight: 424.51266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O4S/c1-2-18-21(22(28)23(24)29)17-13-16(30-12-6-9-20(26)27)10-11-19(17)25(18)14-15-7-4-3-5-8-15/h3-5,7-8,10-11,13H,2,6,9,12,14H2,1H3,(H2,24,29)(H,26,27)