[(2R)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-ethylsulfanylbenzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-ethylsulfanylbenzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-ethylsulfanylbenzoate CAS Name: 2-(ethylthio)benzoic acid [(2R)-1-oxo-1-[(1,3,5-trimethyl-4-pyrazolyl)amino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-ethylsulfanylbenzoate Traditional Name: 2-(ethylthio)benzoic acid [(1R)-2-keto-1-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)OC(C)C(=O)NC2=C(N(N=C2C)C)C

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)O[C@H](C)C(=O)NC2=C(N(N=C2C)C)C

InChI

InChI=1S/C18H23N3O3S/c1-6-25-15-10-8-7-9-14(15)18(23)24-13(4)17(22)19-16-11(2)20-21(5)12(16)3/h7-10,13H,6H2,1-5H3,(H,19,22)/t13-/m1/s1