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

Systemtic Name: methyl (3R)-2-(2-quinazolin-4-ylsulfanylethanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-(2-quinazolin-4-ylsulfanylacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[1-oxo-2-(4-quinazolinylthio)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-(2-quinazolin-4-ylsulfanylacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-(quinazolin-4-ylthio)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1C(=O)CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

COC(=O)[C@H]1CC2=CC=CC=C2CN1C(=O)CSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C21H19N3O3S/c1-27-21(26)18-10-14-6-2-3-7-15(14)11-24(18)19(25)12-28-20-16-8-4-5-9-17(16)22-13-23-20/h2-9,13,18H,10-12H2,1H3/t18-/m1/s1