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

Systemtic Name: 1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-nitrophenyl)sulfanyl-ethanone Openeye Name: 1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-nitrophenyl)sulfanyl-ethanone CAS Name: 1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-nitrophenyl)thio]ethanone IUPAC Name: 1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-nitrophenyl)sulfanylethanone Traditional Name: 1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-nitrophenyl)thio]ethanone Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-])OCC

InChI

InChI=1S/C21H24N2O5S/c1-3-27-19-11-15-9-10-22(13-16(15)12-20(19)28-4-2)21(24)14-29-18-7-5-17(6-8-18)23(25)26/h5-8,11-12H,3-4,9-10,13-14H2,1-2H3