methyl 3-chloranyl-6-[(2-ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-yl)methyl]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(2-ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-yl)methyl]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(2-ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-yl)methyl]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[(2-ethyl-5,7-dimethyl-3-imidazo[4,5-b]pyridinyl)methyl]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(2-ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-yl)methyl]benzothiophene-2-carboxylic acid methyl ester Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1CC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl)N=C(C=C2C)C

Isomeric SMILES

CCC1=NC2=C(N1CC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl)N=C(C=C2C)C

InChI

InChI=1S/C21H20ClN3O2S/c1-5-16-24-18-11(2)8-12(3)23-20(18)25(16)10-13-6-7-14-15(9-13)28-19(17(14)22)21(26)27-4/h6-9H,5,10H2,1-4H3