3-methyl-2-pyridin-3-ylsulfanyl-1-benzothiophene-5-carboxylic acid

Systemtic Name: 3-methyl-2-pyridin-3-ylsulfanyl-1-benzothiophene-5-carboxylic acid Openeye Name: 3-methyl-2-(3-pyridylsulfanyl)benzothiophene-5-carboxylic acid CAS Name: 3-methyl-2-(3-pyridinylthio)-1-benzothiophene-5-carboxylic acid IUPAC Name: 3-methyl-2-pyridin-3-ylsulfanyl-1-benzothiophene-5-carboxylic acid Traditional Name: 3-methyl-2-(3-pyridylthio)benzothiophene-5-carboxylic acid Formula: C15H11NO2S2 MolecularWeight: 301.38334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)C(=O)O)SC3=CN=CC=C3

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)C(=O)O)SC3=CN=CC=C3

InChI

InChI=1S/C15H11NO2S2/c1-9-12-7-10(14(17)18)4-5-13(12)20-15(9)19-11-3-2-6-16-8-11/h2-8H,1H3,(H,17,18)