1-[(1S)-1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-thiophen-2-yl-ethanone

Systemtic Name: 1-[(1S)-1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[(1S)-1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-(2-thienyl)ethanone CAS Name: 1-[(1S)-1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-thiophen-2-ylethanone IUPAC Name: 1-[(1S)-1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[(1S)-1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-(2-thienyl)ethanone Formula: C26H29NO4S MolecularWeight: 451.57776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC2C3=CC(=C(C=C3CCN2C(=O)CC4=CC=CS4)OC)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC[C@@H]2C3=CC(=C(C=C3CCN2C(=O)CC4=CC=CS4)OC)OC)C

InChI

InChI=1S/C26H29NO4S/c1-17-10-18(2)12-20(11-17)31-16-23-22-15-25(30-4)24(29-3)13-19(22)7-8-27(23)26(28)14-21-6-5-9-32-21/h5-6,9-13,15,23H,7-8,14,16H2,1-4H3/t23-/m1/s1