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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1C(=O)COC(=O)C=CC3=CSC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO5S/c1-25-20(24)17-10-15-4-2-3-5-16(15)11-21(17)18(22)12-26-19(23)7-6-14-8-9-27-13-14/h2-9,13,17H,10-12H2,1H3/b7-6+/t17-/m1/s1