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

Systemtic Name: [2-(cycloheptylamino)-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-(cycloheptylamino)-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-(cycloheptylamino)-2-oxoethyl] ester IUPAC Name: [2-(cycloheptylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-(cycloheptylamino)-2-keto-ethyl] ester Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC(=O)NC2CCCCCC2

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC(=O)NC2CCCCCC2

InChI

InChI=1S/C16H22N2O3S/c1-22-15-13(9-6-10-17-15)16(20)21-11-14(19)18-12-7-4-2-3-5-8-12/h6,9-10,12H,2-5,7-8,11H2,1H3,(H,18,19)