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

Systemtic Name: methyl (3R)-2-[2-(4-methoxyphenyl)sulfanylethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(4-methoxyphenyl)sulfanylacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-[(4-methoxyphenyl)thio]-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(4-methoxyphenyl)sulfanylacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-[(4-methoxyphenyl)thio]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCC(=O)N2CC3=CC=CC=C3CC2C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)SCC(=O)N2CC3=CC=CC=C3C[C@@H]2C(=O)OC

InChI

InChI=1S/C20H21NO4S/c1-24-16-7-9-17(10-8-16)26-13-19(22)21-12-15-6-4-3-5-14(15)11-18(21)20(23)25-2/h3-10,18H,11-13H2,1-2H3/t18-/m1/s1