[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] 5-methyl-2-phenyl-triazole-4-carboxylate CAS Name: 5-methyl-2-phenyl-4-triazolecarboxylic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 5-methyl-2-phenyltriazole-4-carboxylate Traditional Name: 5-methyl-2-phenyl-triazole-4-carboxylic acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C15H18N4O3 MolecularWeight: 302.32842

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)C1=NN(N=C1C)C2=CC=CC=C2

Isomeric SMILES

CCNC(=O)[C@H](C)OC(=O)C1=NN(N=C1C)C2=CC=CC=C2

InChI

InChI=1S/C15H18N4O3/c1-4-16-14(20)11(3)22-15(21)13-10(2)17-19(18-13)12-8-6-5-7-9-12/h5-9,11H,4H2,1-3H3,(H,16,20)/t11-/m0/s1