[4-[(2-ethylsulfanylpyridin-3-yl)carbonylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [4-[(2-ethylsulfanylpyridin-3-yl)carbonylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate Openeye Name: [4-[(2-ethylsulfanylpyridine-3-carbonyl)amino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-[[[2-(ethylthio)-3-pyridinyl]-oxomethyl]amino]-1-pyrazolyl]methyl ester IUPAC Name: [4-[(2-ethylsulfanylpyridine-3-carbonyl)amino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-[[2-(ethylthio)nicotinoyl]amino]pyrazol-1-yl]methyl ester Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=CC=N1)C(=O)NC2=CN(N=C2)COC(=O)C(C)(C)C

Isomeric SMILES

CCSC1=C(C=CC=N1)C(=O)NC2=CN(N=C2)COC(=O)C(C)(C)C

InChI

InChI=1S/C17H22N4O3S/c1-5-25-15-13(7-6-8-18-15)14(22)20-12-9-19-21(10-12)11-24-16(23)17(2,3)4/h6-10H,5,11H2,1-4H3,(H,20,22)