[(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylate Openeye Name: [(1S)-2-(isopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] 5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylate CAS Name: 5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylic acid [(2S)-1-oxo-1-[[oxo-(propan-2-ylamino)methyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylate Traditional Name: 5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylic acid [(1S)-2-(isopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H22N4O5 MolecularWeight: 374.39108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)C(C)OC(=O)C1=C(NN=C1)C2=CC=C(C=C2)OC

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC(C)C)OC(=O)C1=C(NN=C1)C2=CC=C(C=C2)OC

InChI

InChI=1S/C18H22N4O5/c1-10(2)20-18(25)21-16(23)11(3)27-17(24)14-9-19-22-15(14)12-5-7-13(26-4)8-6-12/h5-11H,1-4H3,(H,19,22)(H2,20,21,23,25)/t11-/m0/s1