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

Systemtic Name: tert-butyl 2-[2-ethyl-1-(phenylmethyl)indol-4-yl]sulfanylethanoate Openeye Name: tert-butyl 2-(1-benzyl-2-ethyl-indol-4-yl)sulfanylacetate CAS Name: 2-[[2-ethyl-1-(phenylmethyl)-4-indolyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(1-benzyl-2-ethylindol-4-yl)sulfanylacetate Traditional Name: 2-[(1-benzyl-2-ethyl-indol-4-yl)thio]acetic acid tert-butyl ester Formula: C23H27NO2S MolecularWeight: 381.53098

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N1CC3=CC=CC=C3)C=CC=C2SCC(=O)OC(C)(C)C

Isomeric SMILES

CCC1=CC2=C(N1CC3=CC=CC=C3)C=CC=C2SCC(=O)OC(C)(C)C

InChI

InChI=1S/C23H27NO2S/c1-5-18-14-19-20(24(18)15-17-10-7-6-8-11-17)12-9-13-21(19)27-16-22(25)26-23(2,3)4/h6-14H,5,15-16H2,1-4H3