O2-tert-butyl O1-methyl (1R)-6-(thiophen-3-ylmethoxy)-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate

Systemtic Name: O2-tert-butyl O1-methyl (1R)-6-(thiophen-3-ylmethoxy)-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate Openeye Name: O2-tert-butyl O1-methyl (1R)-6-(3-thienylmethoxy)-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate CAS Name: (1R)-6-(3-thiophenylmethoxy)-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylic acid O2-tert-butyl ester O1-methyl ester IUPAC Name: 2-O-tert-butyl 1-O-methyl (1R)-6-(thiophen-3-ylmethoxy)-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate Traditional Name: (1R)-6-(3-thenyloxy)-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylic acid O2-tert-butyl ester O1-methyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1C(=O)OC)C=CC(=C2)OCC3=CSC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C([C@@H]1C(=O)OC)C=CC(=C2)OCC3=CSC=C3

InChI

InChI=1S/C21H25NO5S/c1-21(2,3)27-20(24)22-9-7-15-11-16(26-12-14-8-10-28-13-14)5-6-17(15)18(22)19(23)25-4/h5-6,8,10-11,13,18H,7,9,12H2,1-4H3/t18-/m1/s1