methyl (3R)-2-[2-(1-benzothiophen-2-ylcarbonyloxy)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-[2-(1-benzothiophen-2-ylcarbonyloxy)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(benzothiophene-2-carbonyloxy)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-[1-benzothiophen-2-yl(oxo)methoxy]-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(1-benzothiophene-2-carbonyloxy)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-(benzothiophene-2-carbonyloxy)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C22H19NO5S MolecularWeight: 409.45496

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1C(=O)COC(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)[C@H]1CC2=CC=CC=C2CN1C(=O)COC(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C22H19NO5S/c1-27-21(25)17-10-14-6-2-3-8-16(14)12-23(17)20(24)13-28-22(26)19-11-15-7-4-5-9-18(15)29-19/h2-9,11,17H,10,12-13H2,1H3/t17-/m1/s1