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

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylmethylthio)-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)CSCC3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CSCC3=NC4=CC=CC=C4S3)OC

InChI

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