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

Systemtic Name: butyl 2-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-oxidanylidene-1,3-thiazolidin-3-yl]ethanoate Openeye Name: butyl 2-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-oxo-thiazolidin-3-yl]acetate CAS Name: 2-[2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-4-oxo-3-thiazolidinyl]acetic acid butyl ester IUPAC Name: butyl 2-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-oxo-1,3-thiazolidin-3-yl]acetate Traditional Name: 2-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-keto-thiazolidin-3-yl]acetic acid butyl ester Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CN1C(SCC1=O)C2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CCCCOC(=O)CN1C(SCC1=O)C2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C20H25N3O3S/c1-4-5-11-26-18(25)12-22-17(24)13-27-20(22)19-14(2)21-23(15(19)3)16-9-7-6-8-10-16/h6-10,20H,4-5,11-13H2,1-3H3