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

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C15H21N3O4S MolecularWeight: 339.40994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)COC(=O)C1=C(N=CC=C1)SC

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)COC(=O)C1=C(N=CC=C1)SC

InChI

InChI=1S/C15H21N3O4S/c1-10(2)6-8-17-15(21)18-12(19)9-22-14(20)11-5-4-7-16-13(11)23-3/h4-5,7,10H,6,8-9H2,1-3H3,(H2,17,18,19,21)