dimethyl 1,3-bis(chloranyl)-8-(4-methoxyphenyl)-5-phenylsulfanyl-isoquinoline-6,7-dicarboxylate

Systemtic Name: dimethyl 1,3-bis(chloranyl)-8-(4-methoxyphenyl)-5-phenylsulfanyl-isoquinoline-6,7-dicarboxylate Openeye Name: dimethyl 1,3-dichloro-8-(4-methoxyphenyl)-5-phenylsulfanyl-isoquinoline-6,7-dicarboxylate CAS Name: 1,3-dichloro-8-(4-methoxyphenyl)-5-(phenylthio)isoquinoline-6,7-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1,3-dichloro-8-(4-methoxyphenyl)-5-phenylsulfanylisoquinoline-6,7-dicarboxylate Traditional Name: 1,3-dichloro-8-(4-methoxyphenyl)-5-(phenylthio)isoquinoline-6,7-dicarboxylic acid dimethyl ester Formula: C26H19Cl2NO5S MolecularWeight: 528.40376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=C(C3=CC(=NC(=C32)Cl)Cl)SC4=CC=CC=C4)C(=O)OC)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=C(C3=CC(=NC(=C32)Cl)Cl)SC4=CC=CC=C4)C(=O)OC)C(=O)OC

InChI

InChI=1S/C26H19Cl2NO5S/c1-32-15-11-9-14(10-12-15)19-20-17(13-18(27)29-24(20)28)23(35-16-7-5-4-6-8-16)22(26(31)34-3)21(19)25(30)33-2/h4-13H,1-3H3