3-methyl-2-(pyridin-3-yloxymethyl)-1-benzothiophene-5-carboxylic acid

Systemtic Name: 3-methyl-2-(pyridin-3-yloxymethyl)-1-benzothiophene-5-carboxylic acid Openeye Name: 3-methyl-2-(3-pyridyloxymethyl)benzothiophene-5-carboxylic acid CAS Name: 3-methyl-2-(3-pyridinyloxymethyl)-1-benzothiophene-5-carboxylic acid IUPAC Name: 3-methyl-2-(pyridin-3-yloxymethyl)-1-benzothiophene-5-carboxylic acid Traditional Name: 3-methyl-2-(3-pyridyloxymethyl)benzothiophene-5-carboxylic acid Formula: C16H13NO3S MolecularWeight: 299.34432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)C(=O)O)COC3=CN=CC=C3

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)C(=O)O)COC3=CN=CC=C3

InChI

InChI=1S/C16H13NO3S/c1-10-13-7-11(16(18)19)4-5-14(13)21-15(10)9-20-12-3-2-6-17-8-12/h2-8H,9H2,1H3,(H,18,19)