[2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: [2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: [2-(butylcarbamoylamino)-2-oxo-ethyl] 2-[(5-methylisoxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]-3-pyridinecarboxylic acid [2-[[butylamino(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(butylcarbamoylamino)-2-oxoethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]nicotinic acid [2-(butylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)COC(=O)C1=C(N=CC=C1)SCC2=NOC(=C2)C

Isomeric SMILES

CCCCNC(=O)NC(=O)COC(=O)C1=C(N=CC=C1)SCC2=NOC(=C2)C

InChI

InChI=1S/C18H22N4O5S/c1-3-4-7-20-18(25)21-15(23)10-26-17(24)14-6-5-8-19-16(14)28-11-13-9-12(2)27-22-13/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H2,20,21,23,25)