[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate

Systemtic Name: [2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate Openeye Name: [2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl] 5-methyl-2-phenyl-triazole-4-carboxylate CAS Name: 5-methyl-2-phenyl-4-triazolecarboxylic acid [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 5-methyl-2-phenyltriazole-4-carboxylate Traditional Name: 5-methyl-2-phenyl-triazole-4-carboxylic acid [2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl] ester Formula: C16H20N4O3 MolecularWeight: 316.355

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C1=NN(N=C1C)C2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)NC(=O)COC(=O)C1=NN(N=C1C)C2=CC=CC=C2

InChI

InChI=1S/C16H20N4O3/c1-4-11(2)17-14(21)10-23-16(22)15-12(3)18-20(19-15)13-8-6-5-7-9-13/h5-9,11H,4,10H2,1-3H3,(H,17,21)/t11-/m0/s1