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

Systemtic Name: methyl (3R)-2-[2-(3,4-dimethylphenyl)sulfanylethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(3,4-dimethylphenyl)sulfanylacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-[(3,4-dimethylphenyl)thio]-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(3,4-dimethylphenyl)sulfanylacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-[(3,4-dimethylphenyl)thio]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)N2CC3=CC=CC=C3CC2C(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)N2CC3=CC=CC=C3C[C@@H]2C(=O)OC)C

InChI

InChI=1S/C21H23NO3S/c1-14-8-9-18(10-15(14)2)26-13-20(23)22-12-17-7-5-4-6-16(17)11-19(22)21(24)25-3/h4-10,19H,11-13H2,1-3H3/t19-/m1/s1