[4-[3-(2-phenylethenylsulfanyl)propanoylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [4-[3-(2-phenylethenylsulfanyl)propanoylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate Openeye Name: [4-(3-styrylsulfanylpropanoylamino)pyrazol-1-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-[[1-oxo-3-(2-phenylethenylthio)propyl]amino]-1-pyrazolyl]methyl ester IUPAC Name: [4-[3-(2-phenylethenylsulfanyl)propanoylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-[3-(styrylthio)propanoylamino]pyrazol-1-yl]methyl ester Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCN1C=C(C=N1)NC(=O)CCSC=CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)OCN1C=C(C=N1)NC(=O)CCSC=CC2=CC=CC=C2

InChI

InChI=1S/C20H25N3O3S/c1-20(2,3)19(25)26-15-23-14-17(13-21-23)22-18(24)10-12-27-11-9-16-7-5-4-6-8-16/h4-9,11,13-14H,10,12,15H2,1-3H3,(H,22,24)