ethyl 2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylethanoate Openeye Name: ethyl 2-[1-(p-tolylmethyl)indol-3-yl]sulfanylacetate CAS Name: 2-[[1-[(4-methylphenyl)methyl]-3-indolyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetate Traditional Name: 2-[[1-(4-methylbenzyl)indol-3-yl]thio]acetic acid ethyl ester Formula: C20H21NO2S MolecularWeight: 339.45124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=CN(C2=CC=CC=C21)CC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)CSC1=CN(C2=CC=CC=C21)CC3=CC=C(C=C3)C

InChI

InChI=1S/C20H21NO2S/c1-3-23-20(22)14-24-19-13-21(18-7-5-4-6-17(18)19)12-16-10-8-15(2)9-11-16/h4-11,13H,3,12,14H2,1-2H3