[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] (E)-3-thiophen-2-ylprop-2-enoate

Systemtic Name: [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] (E)-3-thiophen-2-ylprop-2-enoate Openeye Name: [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] (E)-3-(2-thienyl)prop-2-enoate CAS Name: (E)-3-thiophen-2-yl-2-propenoic acid [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate Traditional Name: (E)-3-(2-thienyl)acrylic acid [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)COC(=O)C=CC3=CC=CS3)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)COC(=O)/C=C/C3=CC=CS3)OC

InChI

InChI=1S/C20H21NO5S/c1-24-17-10-14-7-8-21(12-15(14)11-18(17)25-2)19(22)13-26-20(23)6-5-16-4-3-9-27-16/h3-6,9-11H,7-8,12-13H2,1-2H3/b6-5+