ethyl 3-chloranyl-6-(imidazo[4,5-c]pyridin-1-ylmethyl)-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-chloranyl-6-(imidazo[4,5-c]pyridin-1-ylmethyl)-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-chloro-6-(imidazo[4,5-c]pyridin-1-ylmethyl)benzothiophene-2-carboxylate CAS Name: 3-chloro-6-(1-imidazo[4,5-c]pyridinylmethyl)-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-chloro-6-(imidazo[4,5-c]pyridin-1-ylmethyl)-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-(imidazo[4,5-c]pyridin-1-ylmethyl)benzothiophene-2-carboxylic acid ethyl ester Formula: C18H14ClN3O2S MolecularWeight: 371.84066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)C=C(C=C2)CN3C=NC4=C3C=CN=C4)Cl

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)C=C(C=C2)CN3C=NC4=C3C=CN=C4)Cl

InChI

InChI=1S/C18H14ClN3O2S/c1-2-24-18(23)17-16(19)12-4-3-11(7-15(12)25-17)9-22-10-21-13-8-20-6-5-14(13)22/h3-8,10H,2,9H2,1H3