2-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(3-methylbenzothiophen-2-yl)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-keto-2-(3-methylbenzothiophen-2-yl)ethyl]thio]nicotinic acid Formula: C17H13NO3S2 MolecularWeight: 343.42002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)CSC3=C(C=CC=N3)C(=O)O

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)CSC3=C(C=CC=N3)C(=O)O

InChI

InChI=1S/C17H13NO3S2/c1-10-11-5-2-3-7-14(11)23-15(10)13(19)9-22-16-12(17(20)21)6-4-8-18-16/h2-8H,9H2,1H3,(H,20,21)