3-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]thiophene-2-carboxylic acid

Systemtic Name: 3-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]thiophene-2-carboxylic acid Openeye Name: 3-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]thiophene-2-carboxylic acid CAS Name: 3-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-2-thiophenecarboxylic acid IUPAC Name: 3-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]thiophene-2-carboxylic acid Traditional Name: 3-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-2-thenoic acid Formula: C18H21NO6S2 MolecularWeight: 411.49244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)S(=O)(=O)C3=C(SC=C3)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)S(=O)(=O)C3=C(SC=C3)C(=O)O)OCC

InChI

InChI=1S/C18H21NO6S2/c1-3-24-14-9-12-5-7-19(11-13(12)10-15(14)25-4-2)27(22,23)16-6-8-26-17(16)18(20)21/h6,8-10H,3-5,7,11H2,1-2H3,(H,20,21)