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

Systemtic Name: methyl (3R)-2-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[1-oxo-2-(4-thieno[2,3-d]pyrimidinylthio)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-(thieno[2,3-d]pyrimidin-4-ylthio)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C19H17N3O3S2 MolecularWeight: 399.48658

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1C(=O)CSC3=NC=NC4=C3C=CS4

Isomeric SMILES

COC(=O)[C@H]1CC2=CC=CC=C2CN1C(=O)CSC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C19H17N3O3S2/c1-25-19(24)15-8-12-4-2-3-5-13(12)9-22(15)16(23)10-27-18-14-6-7-26-17(14)20-11-21-18/h2-7,11,15H,8-10H2,1H3/t15-/m1/s1