ethyl 2-(6,7-diethoxy-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanoate

Systemtic Name: ethyl 2-(6,7-diethoxy-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanoate Openeye Name: ethyl 2-(6,7-diethoxy-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)acetate CAS Name: 2-(6,7-diethoxy-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)acetic acid ethyl ester IUPAC Name: ethyl 2-(6,7-diethoxy-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)acetate Traditional Name: 2-(6,7-diethoxy-2-mesyl-3,4-dihydro-1H-isoquinolin-1-yl)acetic acid ethyl ester Formula: C18H27NO6S MolecularWeight: 385.47508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(N(CCC2=C1)S(=O)(=O)C)CC(=O)OCC)OCC

Isomeric SMILES

CCOC1=C(C=C2C(N(CCC2=C1)S(=O)(=O)C)CC(=O)OCC)OCC

InChI

InChI=1S/C18H27NO6S/c1-5-23-16-10-13-8-9-19(26(4,21)22)15(12-18(20)25-7-3)14(13)11-17(16)24-6-2/h10-11,15H,5-9,12H2,1-4H3