(E)-1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-prop-2-enoxyphenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-prop-2-enoxyphenyl)prop-2-en-1-one Openeye Name: (E)-3-(4-allyloxyphenyl)-1-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one CAS Name: (E)-1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-prop-2-enoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-prop-2-enoxyphenyl)prop-2-en-1-one Traditional Name: (E)-3-(4-allyloxyphenyl)-1-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one Formula: C27H27NO4S MolecularWeight: 461.57258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)C=CC3=CC=C(C=C3)OCC=C)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)/C=C/C3=CC=C(C=C3)OCC=C)C4=CC=CS4)OC

InChI

InChI=1S/C27H27NO4S/c1-4-15-32-21-10-7-19(8-11-21)9-12-26(29)28-14-13-20-17-23(30-2)24(31-3)18-22(20)27(28)25-6-5-16-33-25/h4-12,16-18,27H,1,13-15H2,2-3H3/b12-9+