4-(1,3-benzothiazol-2-yl)-1-[(1R)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-1-[(1R)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one Openeye Name: 4-(1,3-benzothiazol-2-yl)-1-[(1R)-6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one CAS Name: 4-(1,3-benzothiazol-2-yl)-1-[(1R)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-1-butanone IUPAC Name: 4-(1,3-benzothiazol-2-yl)-1-[(1R)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one Traditional Name: 4-(1,3-benzothiazol-2-yl)-1-[(1R)-6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one Formula: C26H26N2O3S2 MolecularWeight: 478.62624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)CCCC3=NC4=CC=CC=C4S3)C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C2[C@@H](N(CCC2=C1)C(=O)CCCC3=NC4=CC=CC=C4S3)C5=CC=CS5)OC

InChI

InChI=1S/C26H26N2O3S2/c1-30-20-15-17-12-13-28(26(23-9-6-14-32-23)18(17)16-21(20)31-2)25(29)11-5-10-24-27-19-7-3-4-8-22(19)33-24/h3-4,6-9,14-16,26H,5,10-13H2,1-2H3/t26-/m1/s1