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

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] (E)-3-thiophen-2-ylprop-2-enoate Openeye Name: [2-(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-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(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-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C18H17NO3S MolecularWeight: 327.39748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C=CC3=CC=CS3

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C18H17NO3S/c20-17(13-22-18(21)8-7-16-6-3-11-23-16)19-10-9-14-4-1-2-5-15(14)12-19/h1-8,11H,9-10,12-13H2/b8-7+