ethyl 2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanylethanoate Openeye Name: ethyl 2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanylacetate CAS Name: 2-[[1-[(2,5-dimethylphenyl)methyl]-3-indolyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanylacetate Traditional Name: 2-[[1-(2,5-dimethylbenzyl)indol-3-yl]thio]acetic acid ethyl ester Formula: C21H23NO2S MolecularWeight: 353.47782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO2S/c1-4-24-21(23)14-25-20-13-22(19-8-6-5-7-18(19)20)12-17-11-15(2)9-10-16(17)3/h5-11,13H,4,12,14H2,1-3H3