methyl (3R)-2-[2-[(E)-3-thiophen-2-ylprop-2-enoyl]oxyethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-[2-[(E)-3-thiophen-2-ylprop-2-enoyl]oxyethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-[(E)-3-(2-thienyl)prop-2-enoyl]oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[1-oxo-2-[(E)-1-oxo-3-thiophen-2-ylprop-2-enoxy]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-[(E)-3-thiophen-2-ylprop-2-enoyl]oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-[(E)-3-(2-thienyl)acryloyl]oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C20H19NO5S MolecularWeight: 385.43356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1C(=O)COC(=O)C=CC3=CC=CS3

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO5S/c1-25-20(24)17-11-14-5-2-3-6-15(14)12-21(17)18(22)13-26-19(23)9-8-16-7-4-10-27-16/h2-10,17H,11-13H2,1H3/b9-8+/t17-/m1/s1