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

Systemtic Name: 2-[2-(cyclooctylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(cyclooctylamino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-(cyclooctylamino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(cyclooctylamino)-2-keto-ethyl]thio]nicotinic acid Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

C1CCCC(CCC1)NC(=O)CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C16H22N2O3S/c19-14(18-12-7-4-2-1-3-5-8-12)11-22-15-13(16(20)21)9-6-10-17-15/h6,9-10,12H,1-5,7-8,11H2,(H,18,19)(H,20,21)