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

Systemtic Name: [2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-(cyclohexylcarbamoylamino)-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-[[(cyclohexylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-(cyclohexylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC(=O)NC(=O)NC2CCCCC2

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC(=O)NC(=O)NC2CCCCC2

InChI

InChI=1S/C16H21N3O4S/c1-24-14-12(8-5-9-17-14)15(21)23-10-13(20)19-16(22)18-11-6-3-2-4-7-11/h5,8-9,11H,2-4,6-7,10H2,1H3,(H2,18,19,20,22)