methyl 3-chloranyl-7-(pyridin-3-ylmethoxy)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-7-(pyridin-3-ylmethoxy)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-7-(3-pyridylmethoxy)benzothiophene-2-carboxylate CAS Name: 3-chloro-7-(3-pyridinylmethoxy)-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-7-(pyridin-3-ylmethoxy)-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-7-(3-pyridylmethoxy)benzothiophene-2-carboxylic acid methyl ester Formula: C16H12ClNO3S MolecularWeight: 333.78938

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C(=CC=C2)OCC3=CN=CC=C3)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C(=CC=C2)OCC3=CN=CC=C3)Cl

InChI

InChI=1S/C16H12ClNO3S/c1-20-16(19)15-13(17)11-5-2-6-12(14(11)22-15)21-9-10-4-3-7-18-8-10/h2-8H,9H2,1H3