methyl 2-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl 2-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl 2-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-[2-[[1-(3,4-dimethylphenyl)-2-imidazolyl]thio]-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-[2-[[1-(3,4-dimethylphenyl)imidazol-2-yl]thio]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C24H25N3O3S MolecularWeight: 435.5386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=CN=C2SCC(=O)N3CC4=CC=CC=C4CC3C(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=CN=C2SCC(=O)N3CC4=CC=CC=C4CC3C(=O)OC)C

InChI

InChI=1S/C24H25N3O3S/c1-16-8-9-20(12-17(16)2)26-11-10-25-24(26)31-15-22(28)27-14-19-7-5-4-6-18(19)13-21(27)23(29)30-3/h4-12,21H,13-15H2,1-3H3