[(2S)-1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 1-phenylpyrazole-4-carboxylate

Systemtic Name: [(2S)-1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 1-phenylpyrazole-4-carboxylate Openeye Name: [(1S)-2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl] 1-phenylpyrazole-4-carboxylate CAS Name: 1-phenyl-4-pyrazolecarboxylic acid [(2S)-1-(2-furanylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenylpyrazole-4-carboxylic acid [(1S)-2-(2-furfurylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CO1)OC(=O)C2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CO1)OC(=O)C2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H17N3O4/c1-13(17(22)19-11-16-8-5-9-24-16)25-18(23)14-10-20-21(12-14)15-6-3-2-4-7-15/h2-10,12-13H,11H2,1H3,(H,19,22)/t13-/m0/s1