ethyl 4-[3-[3-(4,4-dimethyl-3-oxidanyl-octyl)-4-oxidanylidene-1,3-thiazolidin-2-yl]propyl]benzoate

Systemtic Name: ethyl 4-[3-[3-(4,4-dimethyl-3-oxidanyl-octyl)-4-oxidanylidene-1,3-thiazolidin-2-yl]propyl]benzoate Openeye Name: ethyl 4-[3-[3-(3-hydroxy-4,4-dimethyl-octyl)-4-oxo-thiazolidin-2-yl]propyl]benzoate CAS Name: 4-[3-[3-(3-hydroxy-4,4-dimethyloctyl)-4-oxo-2-thiazolidinyl]propyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[3-(3-hydroxy-4,4-dimethyloctyl)-4-oxo-1,3-thiazolidin-2-yl]propyl]benzoate Traditional Name: 4-[3-[3-(3-hydroxy-4,4-dimethyl-octyl)-4-keto-thiazolidin-2-yl]propyl]benzoic acid ethyl ester Formula: C25H39NO4S MolecularWeight: 449.64646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C(CCN1C(SCC1=O)CCCC2=CC=C(C=C2)C(=O)OCC)O

Isomeric SMILES

CCCCC(C)(C)C(CCN1C(SCC1=O)CCCC2=CC=C(C=C2)C(=O)OCC)O

InChI

InChI=1S/C25H39NO4S/c1-5-7-16-25(3,4)21(27)15-17-26-22(28)18-31-23(26)10-8-9-19-11-13-20(14-12-19)24(29)30-6-2/h11-14,21,23,27H,5-10,15-18H2,1-4H3