1-[1-[(4-fluoranylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-(phenylmethylsulfanyl)ethanone

Systemtic Name: 1-[1-[(4-fluoranylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-(phenylmethylsulfanyl)ethanone Openeye Name: 2-benzylsulfanyl-1-[1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethanone CAS Name: 1-[1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-(phenylmethylthio)ethanone IUPAC Name: 2-benzylsulfanyl-1-[1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Traditional Name: 2-(benzylthio)-1-[1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Formula: C27H28FNO4S MolecularWeight: 481.578923

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)CSCC3=CC=CC=C3)COC4=CC=C(C=C4)F)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)CSCC3=CC=CC=C3)COC4=CC=C(C=C4)F)OC

InChI

InChI=1S/C27H28FNO4S/c1-31-25-14-20-12-13-29(27(30)18-34-17-19-6-4-3-5-7-19)24(23(20)15-26(25)32-2)16-33-22-10-8-21(28)9-11-22/h3-11,14-15,24H,12-13,16-18H2,1-2H3