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

Systemtic Name: 1-[6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-(phenylmethylsulfanyl)ethanone Openeye Name: 2-benzylsulfanyl-1-[6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone CAS Name: 1-[6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-(phenylmethylthio)ethanone IUPAC Name: 2-benzylsulfanyl-1-[6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Traditional Name: 2-(benzylthio)-1-[6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Formula: C27H28N2O6S MolecularWeight: 508.58602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)CSCC3=CC=CC=C3)COC4=CC=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)CSCC3=CC=CC=C3)COC4=CC=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C27H28N2O6S/c1-33-25-14-20-12-13-28(27(30)18-36-17-19-6-4-3-5-7-19)24(23(20)15-26(25)34-2)16-35-22-10-8-21(9-11-22)29(31)32/h3-11,14-15,24H,12-13,16-18H2,1-2H3