(E)-3-(5-bromanylfuran-2-yl)-1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(5-bromanylfuran-2-yl)-1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one Openeye Name: (E)-3-(5-bromo-2-furyl)-1-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one CAS Name: (E)-3-(5-bromo-2-furanyl)-1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-propen-1-one IUPAC Name: (E)-3-(5-bromofuran-2-yl)-1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one Traditional Name: (E)-3-(5-bromo-2-furyl)-1-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one Formula: C22H20BrNO4S MolecularWeight: 474.3675

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)C=CC3=CC=C(O3)Br)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)/C=C/C3=CC=C(O3)Br)C4=CC=CS4)OC

InChI

InChI=1S/C22H20BrNO4S/c1-26-17-12-14-9-10-24(21(25)8-6-15-5-7-20(23)28-15)22(19-4-3-11-29-19)16(14)13-18(17)27-2/h3-8,11-13,22H,9-10H2,1-2H3/b8-6+