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

Systemtic Name: ethyl 4-[2-ethyl-1-(phenylmethyl)indol-5-yl]sulfanylbutanoate Openeye Name: ethyl 4-(1-benzyl-2-ethyl-indol-5-yl)sulfanylbutanoate CAS Name: 4-[[2-ethyl-1-(phenylmethyl)-5-indolyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-(1-benzyl-2-ethylindol-5-yl)sulfanylbutanoate Traditional Name: 4-[(1-benzyl-2-ethyl-indol-5-yl)thio]butyric acid ethyl 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(=C2)SCCCC(=O)OCC

Isomeric SMILES

CCC1=CC2=C(N1CC3=CC=CC=C3)C=CC(=C2)SCCCC(=O)OCC

InChI

InChI=1S/C23H27NO2S/c1-3-20-15-19-16-21(27-14-8-11-23(25)26-4-2)12-13-22(19)24(20)17-18-9-6-5-7-10-18/h5-7,9-10,12-13,15-16H,3-4,8,11,14,17H2,1-2H3