3-(1,3-benzothiazol-2-yl)-1-[(4R)-5,8-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-1-[(4R)-5,8-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-1-[(4R)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one CAS Name: 3-(1,3-benzothiazol-2-yl)-1-[(4R)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-1-propanone IUPAC Name: 3-(1,3-benzothiazol-2-yl)-1-[(4R)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-1-[(4R)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2CN(CC(C2=C(C=C1)OC)O)C(=O)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=C2CN(C[C@@H](C2=C(C=C1)OC)O)C(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N2O4S/c1-26-16-7-8-17(27-2)21-13(16)11-23(12-15(21)24)20(25)10-9-19-22-14-5-3-4-6-18(14)28-19/h3-8,15,24H,9-12H2,1-2H3/t15-/m0/s1