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

Systemtic Name: ethyl 4-[3-[3-(3-oxidanyldecyl)-4-oxidanylidene-1,3-thiazolidin-2-yl]propyl]benzoate Openeye Name: ethyl 4-[3-[3-(3-hydroxydecyl)-4-oxo-thiazolidin-2-yl]propyl]benzoate CAS Name: 4-[3-[3-(3-hydroxydecyl)-4-oxo-2-thiazolidinyl]propyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[3-(3-hydroxydecyl)-4-oxo-1,3-thiazolidin-2-yl]propyl]benzoate Traditional Name: 4-[3-[3-(3-hydroxydecyl)-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H39NO4S/c1-3-5-6-7-8-11-22(27)17-18-26-23(28)19-31-24(26)12-9-10-20-13-15-21(16-14-20)25(29)30-4-2/h13-16,22,24,27H,3-12,17-19H2,1-2H3