methyl (3R)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1C(=O)CSC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC(=O)[C@H]1CC2=CC=CC=C2CN1C(=O)CSC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H21NO5S/c1-25-21(24)17-10-14-4-2-3-5-15(14)12-22(17)20(23)13-28-16-6-7-18-19(11-16)27-9-8-26-18/h2-7,11,17H,8-10,12-13H2,1H3/t17-/m1/s1