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

Systemtic Name: [2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-(cyclopentylcarbamoylamino)-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-[[(cyclopentylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-(cyclopentylcarbamoylamino)-2-keto-ethyl] ester Formula: C15H19N3O4S MolecularWeight: 337.39406

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC(=O)NC(=O)NC2CCCC2

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC(=O)NC(=O)NC2CCCC2

InChI

InChI=1S/C15H19N3O4S/c1-23-13-11(7-4-8-16-13)14(20)22-9-12(19)18-15(21)17-10-5-2-3-6-10/h4,7-8,10H,2-3,5-6,9H2,1H3,(H2,17,18,19,21)