2-[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl]thio]nicotinic acid Formula: C14H15N3O3S MolecularWeight: 305.3522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O3S/c15-9-14(5-1-2-6-14)17-11(18)8-21-12-10(13(19)20)4-3-7-16-12/h3-4,7H,1-2,5-6,8H2,(H,17,18)(H,19,20)