2-[1-methyl-6,7-bis(oxidanyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: 2-[1-methyl-6,7-bis(oxidanyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-(6,7-dihydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-thienylmethyl)acetamide CAS Name: 2-(6,7-dihydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-(6,7-dihydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-(6,7-dihydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-thenyl)acetamide Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2CCN1CC(=O)NCC3=CC=CS3)O)O

Isomeric SMILES

CC1C2=CC(=C(C=C2CCN1CC(=O)NCC3=CC=CS3)O)O

InChI

InChI=1S/C17H20N2O3S/c1-11-14-8-16(21)15(20)7-12(14)4-5-19(11)10-17(22)18-9-13-3-2-6-23-13/h2-3,6-8,11,20-21H,4-5,9-10H2,1H3,(H,18,22)