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

Systemtic Name: methyl 3-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]thiophene-2-carboxylate Openeye Name: methyl 3-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]thiophene-2-carboxylate CAS Name: 3-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]thiophene-2-carboxylate Traditional Name: 3-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]thiophene-2-carboxylic acid methyl ester Formula: C19H23NO6S2 MolecularWeight: 425.51902

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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)OC)OCC

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO6S2/c1-4-25-15-10-13-6-8-20(12-14(13)11-16(15)26-5-2)28(22,23)17-7-9-27-18(17)19(21)24-3/h7,9-11H,4-6,8,12H2,1-3H3