[2-(cyclooctylamino)-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-(cyclooctylamino)-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-(cyclooctylamino)-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-(cyclooctylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclooctylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-(cyclooctylamino)-2-keto-ethyl] ester Formula: C17H24N2O3S MolecularWeight: 336.44906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC(=O)NC2CCCCCCC2

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC(=O)NC2CCCCCCC2

InChI

InChI=1S/C17H24N2O3S/c1-23-16-14(10-7-11-18-16)17(21)22-12-15(20)19-13-8-5-3-2-4-6-9-13/h7,10-11,13H,2-6,8-9,12H2,1H3,(H,19,20)