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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CC(C#N)(C1CC1)NC(=O)CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C14H15N3O3S/c1-14(8-15,9-4-5-9)17-11(18)7-21-12-10(13(19)20)3-2-6-16-12/h2-3,6,9H,4-5,7H2,1H3,(H,17,18)(H,19,20)