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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=C(C1)C(=CC(=C2C(=O)OC)SC)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)N1CCC2=C(C1)C(=CC(=C2C(=O)OC)SC)C3=CC4=CC=CC=C4C=C3

InChI

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