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

Systemtic Name: 2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-[2-(1,3-benzothiazol-2-yl)pyrrolidino]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CN3CCCC3C4=NC5=CC=CC=C5S4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CN3CCCC3C4=NC5=CC=CC=C5S4)OC

InChI

InChI=1S/C24H27N3O3S/c1-29-20-12-16-9-11-27(14-17(16)13-21(20)30-2)23(28)15-26-10-5-7-19(26)24-25-18-6-3-4-8-22(18)31-24/h3-4,6,8,12-13,19H,5,7,9-11,14-15H2,1-2H3