2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-(4H-3,1-benzothiazin-2-ylthio)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-(4H-3,1-benzothiazin-2-ylthio)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=NC4=CC=CC=C4CS3)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=NC4=CC=CC=C4CS3)OC

InChI

InChI=1S/C21H22N2O3S2/c1-25-18-9-14-7-8-23(11-16(14)10-19(18)26-2)20(24)13-28-21-22-17-6-4-3-5-15(17)12-27-21/h3-6,9-10H,7-8,11-13H2,1-2H3