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

Systemtic Name: 3-methyl-2-(pyridin-3-ylmethyl)-1-benzothiophene-5-carboxylic acid Openeye Name: 3-methyl-2-(3-pyridylmethyl)benzothiophene-5-carboxylic acid CAS Name: 3-methyl-2-(3-pyridinylmethyl)-1-benzothiophene-5-carboxylic acid IUPAC Name: 3-methyl-2-(pyridin-3-ylmethyl)-1-benzothiophene-5-carboxylic acid Traditional Name: 3-methyl-2-(3-pyridylmethyl)benzothiophene-5-carboxylic acid Formula: C16H13NO2S MolecularWeight: 283.34492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)C(=O)O)CC3=CN=CC=C3

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)C(=O)O)CC3=CN=CC=C3

InChI

InChI=1S/C16H13NO2S/c1-10-13-8-12(16(18)19)4-5-14(13)20-15(10)7-11-3-2-6-17-9-11/h2-6,8-9H,7H2,1H3,(H,18,19)