tert-butyl 2-[2-ethyl-3-oxamoyl-1-(phenylmethyl)indol-4-yl]sulfanylethanoate

Systemtic Name: tert-butyl 2-[2-ethyl-3-oxamoyl-1-(phenylmethyl)indol-4-yl]sulfanylethanoate Openeye Name: tert-butyl 2-(1-benzyl-2-ethyl-3-oxamoyl-indol-4-yl)sulfanylacetate CAS Name: 2-[[2-ethyl-3-oxamoyl-1-(phenylmethyl)-4-indolyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)sulfanylacetate Traditional Name: 2-[(1-benzyl-2-ethyl-3-oxamoyl-indol-4-yl)thio]acetic acid tert-butyl 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=C2SCC(=O)OC(C)(C)C)C(=O)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O4S/c1-5-17-22(23(29)24(26)30)21-18(27(17)14-16-10-7-6-8-11-16)12-9-13-19(21)32-15-20(28)31-25(2,3)4/h6-13H,5,14-15H2,1-4H3,(H2,26,30)