O2-ethyl O5-methyl 8-(4-bromophenyl)-6-methylsulfanyl-3,4-dihydro-1H-isoquinoline-2,5-dicarboxylate

Systemtic Name: O2-ethyl O5-methyl 8-(4-bromophenyl)-6-methylsulfanyl-3,4-dihydro-1H-isoquinoline-2,5-dicarboxylate Openeye Name: O2-ethyl O5-methyl 8-(4-bromophenyl)-6-methylsulfanyl-3,4-dihydro-1H-isoquinoline-2,5-dicarboxylate CAS Name: 8-(4-bromophenyl)-6-(methylthio)-3,4-dihydro-1H-isoquinoline-2,5-dicarboxylic acid O2-ethyl ester O5-methyl ester IUPAC Name: 2-O-ethyl 5-O-methyl 8-(4-bromophenyl)-6-methylsulfanyl-3,4-dihydro-1H-isoquinoline-2,5-dicarboxylate Traditional Name: 8-(4-bromophenyl)-6-(methylthio)-3,4-dihydro-1H-isoquinoline-2,5-dicarboxylic acid O2-ethyl ester O5-methyl ester Formula: C21H22BrNO4S MolecularWeight: 464.37268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=C(C1)C(=CC(=C2C(=O)OC)SC)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)N1CCC2=C(C1)C(=CC(=C2C(=O)OC)SC)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H22BrNO4S/c1-4-27-21(25)23-10-9-15-17(12-23)16(13-5-7-14(22)8-6-13)11-18(28-3)19(15)20(24)26-2/h5-8,11H,4,9-10,12H2,1-3H3