methyl 2-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl 2-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl 2-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-[2-[[1-(2,5-dimethylphenyl)-2-imidazolyl]thio]-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-[2-[[1-(2,5-dimethylphenyl)imidazol-2-yl]thio]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C24H25N3O3S MolecularWeight: 435.5386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O3S/c1-16-8-9-17(2)20(12-16)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