2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-N-(2,3-dimethyl-6-nitro-phenyl)ethanamide

Systemtic Name: 2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-N-(2,3-dimethyl-6-nitro-phenyl)ethanamide Openeye Name: 2-[(1S)-6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-(2,3-dimethyl-6-nitro-phenyl)acetamide CAS Name: 2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-N-(2,3-dimethyl-6-nitrophenyl)acetamide IUPAC Name: 2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-N-(2,3-dimethyl-6-nitrophenyl)acetamide Traditional Name: 2-[(1S)-6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-(2,3-dimethyl-6-nitro-phenyl)acetamide Formula: C25H27N3O5S MolecularWeight: 481.56398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)CN2CCC3=CC(=C(C=C3C2C4=CC=CS4)OC)OC)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)CN2CCC3=CC(=C(C=C3[C@H]2C4=CC=CS4)OC)OC)C

InChI

InChI=1S/C25H27N3O5S/c1-15-7-8-19(28(30)31)24(16(15)2)26-23(29)14-27-10-9-17-12-20(32-3)21(33-4)13-18(17)25(27)22-6-5-11-34-22/h5-8,11-13,25H,9-10,14H2,1-4H3,(H,26,29)/t25-/m0/s1