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

Systemtic Name: pentyl 2-[2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-oxidanylidene-1,3-thiazolidin-3-yl]ethanoate Openeye Name: pentyl 2-[2-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-oxo-thiazolidin-3-yl]acetate CAS Name: 2-[2-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-oxo-3-thiazolidinyl]acetic acid pentyl ester IUPAC Name: pentyl 2-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-oxo-1,3-thiazolidin-3-yl]acetate Traditional Name: 2-[4-keto-2-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiazolidin-3-yl]acetic acid amyl ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CN1C(SCC1=O)C2=C(N(N(C2=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CCCCCOC(=O)CN1C(SCC1=O)C2=C(N(N(C2=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C21H27N3O4S/c1-4-5-9-12-28-18(26)13-23-17(25)14-29-21(23)19-15(2)22(3)24(20(19)27)16-10-7-6-8-11-16/h6-8,10-11,21H,4-5,9,12-14H2,1-3H3