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

Systemtic Name: 2-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(cyclopropylamino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-(cyclopropylamino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(cyclopropylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(cyclopropylamino)-2-keto-ethyl]thio]nicotinic acid Formula: C11H12N2O3S MolecularWeight: 252.28958

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

C1CC1NC(=O)CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C11H12N2O3S/c14-9(13-7-3-4-7)6-17-10-8(11(15)16)2-1-5-12-10/h1-2,5,7H,3-4,6H2,(H,13,14)(H,15,16)