[(2S)-1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)benzoate

Systemtic Name: [(2S)-1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)benzoate Openeye Name: [(1S)-2-(ethylcarbamoylamino)-1-methyl-2-oxo-ethyl] 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoate CAS Name: 4-(4-chloro-3,5-dimethyl-1-pyrazolyl)benzoic acid [(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoic acid [(1S)-2-(ethylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H21ClN4O4 MolecularWeight: 392.83674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN4O4/c1-5-20-18(26)21-16(24)12(4)27-17(25)13-6-8-14(9-7-13)23-11(3)15(19)10(2)22-23/h6-9,12H,5H2,1-4H3,(H2,20,21,24,26)/t12-/m0/s1