tert-butyl 3-[2-ethyl-1-(phenylmethyl)indol-5-yl]sulfanylpropanoate

Systemtic Name: tert-butyl 3-[2-ethyl-1-(phenylmethyl)indol-5-yl]sulfanylpropanoate Openeye Name: tert-butyl 3-(1-benzyl-2-ethyl-indol-5-yl)sulfanylpropanoate CAS Name: 3-[[2-ethyl-1-(phenylmethyl)-5-indolyl]thio]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(1-benzyl-2-ethylindol-5-yl)sulfanylpropanoate Traditional Name: 3-[(1-benzyl-2-ethyl-indol-5-yl)thio]propionic acid tert-butyl ester Formula: C24H29NO2S MolecularWeight: 395.55756

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N1CC3=CC=CC=C3)C=CC(=C2)SCCC(=O)OC(C)(C)C

Isomeric SMILES

CCC1=CC2=C(N1CC3=CC=CC=C3)C=CC(=C2)SCCC(=O)OC(C)(C)C

InChI

InChI=1S/C24H29NO2S/c1-5-20-15-19-16-21(28-14-13-23(26)27-24(2,3)4)11-12-22(19)25(20)17-18-9-7-6-8-10-18/h6-12,15-16H,5,13-14,17H2,1-4H3