methyl (3R)-2-(2-pyrimidin-2-ylsulfanylethanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-(2-pyrimidin-2-ylsulfanylethanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-(2-pyrimidin-2-ylsulfanylacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[1-oxo-2-(2-pyrimidinylthio)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-(2-pyrimidin-2-ylsulfanylacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-(2-pyrimidylthio)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C17H17N3O3S MolecularWeight: 343.40018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1C(=O)CSC3=NC=CC=N3

Isomeric SMILES

COC(=O)[C@H]1CC2=CC=CC=C2CN1C(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C17H17N3O3S/c1-23-16(22)14-9-12-5-2-3-6-13(12)10-20(14)15(21)11-24-17-18-7-4-8-19-17/h2-8,14H,9-11H2,1H3/t14-/m1/s1