[(2S)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [(2S)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-pyrazol-1-ylbenzoate Openeye Name: [(1S)-2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [(2S)-1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [(1S)-2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC(C)(C)C)OC(=O)C1=CC=C(C=C1)N2C=CC=N2

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC(C)(C)C)OC(=O)C1=CC=C(C=C1)N2C=CC=N2

InChI

InChI=1S/C18H22N4O4/c1-12(15(23)20-17(25)21-18(2,3)4)26-16(24)13-6-8-14(9-7-13)22-11-5-10-19-22/h5-12H,1-4H3,(H2,20,21,23,25)/t12-/m0/s1