(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methylsulfanylpyridin-3-yl)methanone

Systemtic Name: (6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methylsulfanylpyridin-3-yl)methanone Openeye Name: [6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(2-methylsulfanyl-3-pyridyl)methanone CAS Name: (6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(methylthio)-3-pyridinyl]methanone IUPAC Name: (6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methylsulfanylpyridin-3-yl)methanone Traditional Name: [6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[2-(methylthio)-3-pyridyl]methanone Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O3S2/c1-26-17-12-14-8-10-24(22(25)15-6-4-9-23-21(15)28-3)20(19-7-5-11-29-19)16(14)13-18(17)27-2/h4-7,9,11-13,20H,8,10H2,1-3H3