(2E,4E)-1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)hexa-2,4-dien-1-one

Systemtic Name: (2E,4E)-1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)hexa-2,4-dien-1-one Openeye Name: (2E,4E)-1-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]hexa-2,4-dien-1-one CAS Name: (2E,4E)-1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-1-hexa-2,4-dienone IUPAC Name: (2E,4E)-1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)hexa-2,4-dien-1-one Traditional Name: (2E,4E)-1-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]hexa-2,4-dien-1-one Formula: C21H23NO3S MolecularWeight: 369.47722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CC=CC(=O)N1CCC2=CC(=C(C=C2C1C3=CC=CS3)OC)OC

Isomeric SMILES

C/C=C/C=C/C(=O)N1CCC2=CC(=C(C=C2C1C3=CC=CS3)OC)OC

InChI

InChI=1S/C21H23NO3S/c1-4-5-6-9-20(23)22-11-10-15-13-17(24-2)18(25-3)14-16(15)21(22)19-8-7-12-26-19/h4-9,12-14,21H,10-11H2,1-3H3/b5-4+,9-6+