2-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(cyclopentylamino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-(cyclopentylamino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(cyclopentylamino)-2-keto-ethyl]thio]nicotinic acid Formula: C13H16N2O3S MolecularWeight: 280.34274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

C1CCC(C1)NC(=O)CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C13H16N2O3S/c16-11(15-9-4-1-2-5-9)8-19-12-10(13(17)18)6-3-7-14-12/h3,6-7,9H,1-2,4-5,8H2,(H,15,16)(H,17,18)