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ethyl 2-[(6,7-dimethoxyisoquinolin-1-yl)methylsulfanyl]benzimidazole-1-carboxylate

ethyl 2-[(6,7-dimethoxyisoquinolin-1-yl)methylsulfanyl]benzimidazole-1-carboxylate

Systemtic Name:ethyl 2-[(6,7-dimethoxyisoquinolin-1-yl)methylsulfanyl]benzimidazole-1-carboxylate
Openeye Name:ethyl 2-[(6,7-dimethoxy-1-isoquinolyl)methylsulfanyl]benzimidazole-1-carboxylate
CAS Name:2-[(6,7-dimethoxy-1-isoquinolinyl)methylthio]-1-benzimidazolecarboxylic acid ethyl ester
IUPAC Name:ethyl 2-[(6,7-dimethoxyisoquinolin-1-yl)methylsulfanyl]benzimidazole-1-carboxylate
Traditional Name:2-[(6,7-dimethoxy-1-isoquinolyl)methylthio]benzimidazole-1-carboxylic acid ethyl ester
Formula: C22H21N3O4S
MolecularWeight: 423.48484
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C2=CC=CC=C2N=C1SCC3=NC=CC4=CC(=C(C=C43)OC)OC


Isomeric SMILES

CCOC(=O)N1C2=CC=CC=C2N=C1SCC3=NC=CC4=CC(=C(C=C43)OC)OC


InChI

InChI=1S/C22H21N3O4S/c1-4-29-22(26)25-18-8-6-5-7-16(18)24-21(25)30-13-17-15-12-20(28-3)19(27-2)11-14(15)9-10-23-17/h5-12H,4,13H2,1-3H3


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