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

Systemtic Name: (E)-1-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-(3-methoxyphenyl)prop-2-en-1-one Openeye Name: (E)-1-[(1S)-6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(3-methoxyphenyl)prop-2-en-1-one CAS Name: (E)-1-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-(3-methoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-(3-methoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-[(1S)-6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(3-methoxyphenyl)prop-2-en-1-one Formula: C25H25NO4S MolecularWeight: 435.5353

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C=CC(=O)N2CCC3=CC(=C(C=C3C2C4=CC=CS4)OC)OC

Isomeric SMILES

COC1=CC=CC(=C1)/C=C/C(=O)N2CCC3=CC(=C(C=C3[C@H]2C4=CC=CS4)OC)OC

InChI

InChI=1S/C25H25NO4S/c1-28-19-7-4-6-17(14-19)9-10-24(27)26-12-11-18-15-21(29-2)22(30-3)16-20(18)25(26)23-8-5-13-31-23/h4-10,13-16,25H,11-12H2,1-3H3/b10-9+/t25-/m0/s1