[1-oxidanylidene-1-[(phenylmethyl)carbamoylamino]propan-2-yl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: [1-oxidanylidene-1-[(phenylmethyl)carbamoylamino]propan-2-yl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: [2-(benzylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2-[(5-methylisoxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]-3-pyridinecarboxylic acid [1-oxo-1-[[oxo-[(phenylmethyl)amino]methyl]amino]propan-2-yl] ester IUPAC Name: [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]nicotinic acid [2-(benzylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H22N4O5S MolecularWeight: 454.49888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)OC(C)C(=O)NC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)OC(C)C(=O)NC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H22N4O5S/c1-14-11-17(26-31-14)13-32-20-18(9-6-10-23-20)21(28)30-15(2)19(27)25-22(29)24-12-16-7-4-3-5-8-16/h3-11,15H,12-13H2,1-2H3,(H2,24,25,27,29)