(2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-2-(thiophen-2-ylmethylamino)butan-1-one

Systemtic Name: (2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-2-(thiophen-2-ylmethylamino)butan-1-one Openeye Name: (2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-2-(2-thienylmethylamino)butan-1-one CAS Name: (2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-2-(thiophen-2-ylmethylamino)-1-butanone IUPAC Name: (2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-2-(thiophen-2-ylmethylamino)butan-1-one Traditional Name: (2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-2-(2-thenylamino)butan-1-one Formula: C22H30N2O3S MolecularWeight: 402.5502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)N1CCC2=CC(=C(C=C2C1)OC)OC)NCC3=CC=CS3

Isomeric SMILES

CC(C)(C)[C@@H](C(=O)N1CCC2=CC(=C(C=C2C1)OC)OC)NCC3=CC=CS3

InChI

InChI=1S/C22H30N2O3S/c1-22(2,3)20(23-13-17-7-6-10-28-17)21(25)24-9-8-15-11-18(26-4)19(27-5)12-16(15)14-24/h6-7,10-12,20,23H,8-9,13-14H2,1-5H3/t20-/m1/s1