3-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-2-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid

Systemtic Name: 3-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-2-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid Openeye Name: 3-[(3-chlorobenzothiophen-2-yl)methyl]-2-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid CAS Name: 3-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-methyl-5-imidazo[4,5-b]pyridinecarboxylic acid IUPAC Name: 3-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid Traditional Name: 3-[(3-chlorobenzothiophen-2-yl)methyl]-2-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid Formula: C17H12ClN3O2S MolecularWeight: 357.81408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=C(C4=CC=CC=C4S3)Cl)N=C(C=C2)C(=O)O

Isomeric SMILES

CC1=NC2=C(N1CC3=C(C4=CC=CC=C4S3)Cl)N=C(C=C2)C(=O)O

InChI

InChI=1S/C17H12ClN3O2S/c1-9-19-11-6-7-12(17(22)23)20-16(11)21(9)8-14-15(18)10-4-2-3-5-13(10)24-14/h2-7H,8H2,1H3,(H,22,23)