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

Systemtic Name: 6-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]-3-chloranyl-1-benzothiophene-2-carboxylic acid Openeye Name: 6-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]-3-chloro-benzothiophene-2-carboxylic acid CAS Name: 6-[(2-butyl-3-imidazo[4,5-b]pyridinyl)methyl]-3-chloro-1-benzothiophene-2-carboxylic acid IUPAC Name: 6-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]-3-chloro-1-benzothiophene-2-carboxylic acid Traditional Name: 6-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]-3-chloro-benzothiophene-2-carboxylic acid Formula: C20H18ClN3O2S MolecularWeight: 399.89382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O2S/c1-2-3-6-16-23-14-5-4-9-22-19(14)24(16)11-12-7-8-13-15(10-12)27-18(17(13)21)20(25)26/h4-5,7-10H,2-3,6,11H2,1H3,(H,25,26)