O2-ethyl O5-methyl 6-methylsulfanyl-8-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline-2,5-dicarboxylate

Systemtic Name: O2-ethyl O5-methyl 6-methylsulfanyl-8-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline-2,5-dicarboxylate Openeye Name: O2-ethyl O5-methyl 6-methylsulfanyl-8-(1-naphthyl)-3,4-dihydro-1H-isoquinoline-2,5-dicarboxylate CAS Name: 6-(methylthio)-8-(1-naphthalenyl)-3,4-dihydro-1H-isoquinoline-2,5-dicarboxylic acid O2-ethyl ester O5-methyl ester IUPAC Name: 2-O-ethyl 5-O-methyl 6-methylsulfanyl-8-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline-2,5-dicarboxylate Traditional Name: 6-(methylthio)-8-(1-naphthyl)-3,4-dihydro-1H-isoquinoline-2,5-dicarboxylic acid O2-ethyl ester O5-methyl ester Formula: C25H25NO4S MolecularWeight: 435.5353

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=C(C1)C(=CC(=C2C(=O)OC)SC)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)N1CCC2=C(C1)C(=CC(=C2C(=O)OC)SC)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H25NO4S/c1-4-30-25(28)26-13-12-19-21(15-26)20(14-22(31-3)23(19)24(27)29-2)18-11-7-9-16-8-5-6-10-17(16)18/h5-11,14H,4,12-13,15H2,1-3H3