2-[(3-chloranyl-1-benzothiophen-2-yl)methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[(3-chloranyl-1-benzothiophen-2-yl)methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(3-chlorobenzothiophen-2-yl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(3-chloro-1-benzothiophen-2-yl)methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(3-chloro-1-benzothiophen-2-yl)methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(3-chlorobenzothiophen-2-yl)methylthio]nicotinic acid Formula: C15H10ClNO2S2 MolecularWeight: 335.8284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)CSC3=C(C=CC=N3)C(=O)O)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)CSC3=C(C=CC=N3)C(=O)O)Cl

InChI

InChI=1S/C15H10ClNO2S2/c16-13-9-4-1-2-6-11(9)21-12(13)8-20-14-10(15(18)19)5-3-7-17-14/h1-7H,8H2,(H,18,19)