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

Systemtic Name: 2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-N-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethanamide Openeye Name: 2-[(1S)-6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide CAS Name: 2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-N-[4-(2-oxo-1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide Traditional Name: 2-[(1S)-6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-[4-(2-ketopyrrolidino)phenyl]acetamide Formula: C27H29N3O4S MolecularWeight: 491.60186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)CC(=O)NC3=CC=C(C=C3)N4CCCC4=O)C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C2[C@H](N(CCC2=C1)CC(=O)NC3=CC=C(C=C3)N4CCCC4=O)C5=CC=CS5)OC

InChI

InChI=1S/C27H29N3O4S/c1-33-22-15-18-11-13-29(27(24-5-4-14-35-24)21(18)16-23(22)34-2)17-25(31)28-19-7-9-20(10-8-19)30-12-3-6-26(30)32/h4-5,7-10,14-16,27H,3,6,11-13,17H2,1-2H3,(H,28,31)/t27-/m0/s1