methyl (3R)-2-[2-[2-(thiophen-2-ylcarbonylamino)ethanoyloxy]ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-[2-[2-(thiophen-2-ylcarbonylamino)ethanoyloxy]ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-[2-(thiophene-2-carbonylamino)acetyl]oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[1-oxo-2-[1-oxo-2-[[oxo(thiophen-2-yl)methyl]amino]ethoxy]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-[2-(thiophene-2-carbonylamino)acetyl]oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-[2-(2-thenoylamino)acetyl]oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1C(=O)COC(=O)CNC(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)[C@H]1CC2=CC=CC=C2CN1C(=O)COC(=O)CNC(=O)C3=CC=CS3

InChI

InChI=1S/C20H20N2O6S/c1-27-20(26)15-9-13-5-2-3-6-14(13)11-22(15)17(23)12-28-18(24)10-21-19(25)16-7-4-8-29-16/h2-8,15H,9-12H2,1H3,(H,21,25)/t15-/m1/s1