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

Systemtic Name: 3-chloranyl-6-[(2-ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-yl)methyl]-1-benzothiophene-2-carboxylic acid Openeye Name: 3-chloro-6-[(2-ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-yl)methyl]benzothiophene-2-carboxylic acid CAS Name: 3-chloro-6-[(2-ethyl-5,7-dimethyl-3-imidazo[4,5-b]pyridinyl)methyl]-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-chloro-6-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-1-benzothiophene-2-carboxylic acid Traditional Name: 3-chloro-6-[(2-ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-yl)methyl]benzothiophene-2-carboxylic acid Formula: C20H18ClN3O2S MolecularWeight: 399.89382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O2S/c1-4-15-23-17-10(2)7-11(3)22-19(17)24(15)9-12-5-6-13-14(8-12)27-18(16(13)21)20(25)26/h5-8H,4,9H2,1-3H3,(H,25,26)