1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-nitrophenyl)sulfanyl-ethanone

Systemtic Name: 1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-nitrophenyl)sulfanyl-ethanone Openeye Name: 1-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-(4-nitrophenyl)sulfanyl-ethanone CAS Name: 1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-nitrophenyl)thio]ethanone IUPAC Name: 1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-nitrophenyl)sulfanylethanone Traditional Name: 1-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-[(4-nitrophenyl)thio]ethanone Formula: C23H22N2O5S2 MolecularWeight: 470.56118

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CS4)OC

InChI

InChI=1S/C23H22N2O5S2/c1-29-19-12-15-9-10-24(22(26)14-32-17-7-5-16(6-8-17)25(27)28)23(21-4-3-11-31-21)18(15)13-20(19)30-2/h3-8,11-13,23H,9-10,14H2,1-2H3