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

Systemtic Name: [1-oxidanylidene-1-(phenylcarbamoylamino)propan-2-yl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: [1-methyl-2-oxo-2-(phenylcarbamoylamino)ethyl] 2-[(5-methylisoxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]-3-pyridinecarboxylic acid [1-[[anilino(oxo)methyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-oxo-1-(phenylcarbamoylamino)propan-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-keto-1-methyl-2-(phenylcarbamoylamino)ethyl] ester Formula: C21H20N4O5S MolecularWeight: 440.4723

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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)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)OC(C)C(=O)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H20N4O5S/c1-13-11-16(25-30-13)12-31-19-17(9-6-10-22-19)20(27)29-14(2)18(26)24-21(28)23-15-7-4-3-5-8-15/h3-11,14H,12H2,1-2H3,(H2,23,24,26,28)