methyl 6-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]-3-chloranyl-1-benzothiophene-2-carboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl)N=CC=C2

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl)N=CC=C2

InChI

InChI=1S/C21H20ClN3O2S/c1-3-4-7-17-24-15-6-5-10-23-20(15)25(17)12-13-8-9-14-16(11-13)28-19(18(14)22)21(26)27-2/h5-6,8-11H,3-4,7,12H2,1-2H3