tert-butyl 3-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-oxidanylidene-1,3-thiazolidin-3-yl]propanoate

Systemtic Name: tert-butyl 3-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-oxidanylidene-1,3-thiazolidin-3-yl]propanoate Openeye Name: tert-butyl 3-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-oxo-thiazolidin-3-yl]propanoate CAS Name: 3-[2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-4-oxo-3-thiazolidinyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-oxo-1,3-thiazolidin-3-yl]propanoate Traditional Name: 3-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-keto-thiazolidin-3-yl]propionic acid tert-butyl ester Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C3N(C(=O)CS3)CCC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C3N(C(=O)CS3)CCC(=O)OC(C)(C)C

InChI

InChI=1S/C21H27N3O3S/c1-14-19(15(2)24(22-14)16-9-7-6-8-10-16)20-23(17(25)13-28-20)12-11-18(26)27-21(3,4)5/h6-10,20H,11-13H2,1-5H3