methyl (3R)-2-[2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-[2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[1-oxo-2-[(6-oxo-1H-pyrimidin-2-yl)thio]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-[(6-keto-1H-pyrimidin-2-yl)thio]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O4S/c1-24-16(23)13-8-11-4-2-3-5-12(11)9-20(13)15(22)10-25-17-18-7-6-14(21)19-17/h2-7,13H,8-10H2,1H3,(H,18,19,21)/t13-/m1/s1