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

Systemtic Name: ethyl 4-[2-ethyl-3-oxamoyl-1-(phenylmethyl)indol-5-yl]sulfanylbutanoate Openeye Name: ethyl 4-(1-benzyl-2-ethyl-3-oxamoyl-indol-5-yl)sulfanylbutanoate CAS Name: 4-[[2-ethyl-3-oxamoyl-1-(phenylmethyl)-5-indolyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-(1-benzyl-2-ethyl-3-oxamoylindol-5-yl)sulfanylbutanoate Traditional Name: 4-[(1-benzyl-2-ethyl-3-oxamoyl-indol-5-yl)thio]butyric acid ethyl ester Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O4S/c1-3-20-23(24(29)25(26)30)19-15-18(32-14-8-11-22(28)31-4-2)12-13-21(19)27(20)16-17-9-6-5-7-10-17/h5-7,9-10,12-13,15H,3-4,8,11,14,16H2,1-2H3,(H2,26,30)