1-adamantyl-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]methanone

Systemtic Name: 1-adamantyl-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]methanone Openeye Name: 1-adamantyl-[(1S)-6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone CAS Name: 1-adamantyl-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]methanone IUPAC Name: 1-adamantyl-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]methanone Traditional Name: 1-adamantyl-[(1S)-6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone Formula: C26H31NO3S MolecularWeight: 437.59424

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)C34CC5CC(C3)CC(C5)C4)C6=CC=CS6)OC

Isomeric SMILES

COC1=C(C=C2[C@H](N(CCC2=C1)C(=O)C34CC5CC(C3)CC(C5)C4)C6=CC=CS6)OC

InChI

InChI=1S/C26H31NO3S/c1-29-21-11-19-5-6-27(24(23-4-3-7-31-23)20(19)12-22(21)30-2)25(28)26-13-16-8-17(14-26)10-18(9-16)15-26/h3-4,7,11-12,16-18,24H,5-6,8-10,13-15H2,1-2H3/t16?,17?,18?,24-,26?/m0/s1