dimethyl 5-azanyl-3-[[(3R)-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[[(3R)-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[[(3R)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[[(3R)-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[[(3R)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(3R)-2-mesyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]oxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H22N2O8S2 MolecularWeight: 482.52728

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)[C@H]2CC3=CC=CC=C3CN2S(=O)(=O)C)C(=O)OC)N

InChI

InChI=1S/C20H22N2O8S2/c1-28-19(24)15-13(16(20(25)29-2)31-17(15)21)10-30-18(23)14-8-11-6-4-5-7-12(11)9-22(14)32(3,26)27/h4-7,14H,8-10,21H2,1-3H3/t14-/m1/s1