methyl 4-[3-[4-oxidanylidene-3-(3-oxidanyloctyl)-1,3-thiazolidin-2-yl]propyl]benzoate

Systemtic Name: methyl 4-[3-[4-oxidanylidene-3-(3-oxidanyloctyl)-1,3-thiazolidin-2-yl]propyl]benzoate Openeye Name: methyl 4-[3-[3-(3-hydroxyoctyl)-4-oxo-thiazolidin-2-yl]propyl]benzoate CAS Name: 4-[3-[3-(3-hydroxyoctyl)-4-oxo-2-thiazolidinyl]propyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[3-(3-hydroxyoctyl)-4-oxo-1,3-thiazolidin-2-yl]propyl]benzoate Traditional Name: 4-[3-[3-(3-hydroxyoctyl)-4-keto-thiazolidin-2-yl]propyl]benzoic acid methyl ester Formula: C22H33NO4S MolecularWeight: 407.56672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCN1C(SCC1=O)CCCC2=CC=C(C=C2)C(=O)OC)O

Isomeric SMILES

CCCCCC(CCN1C(SCC1=O)CCCC2=CC=C(C=C2)C(=O)OC)O

InChI

InChI=1S/C22H33NO4S/c1-3-4-5-8-19(24)14-15-23-20(25)16-28-21(23)9-6-7-17-10-12-18(13-11-17)22(26)27-2/h10-13,19,21,24H,3-9,14-16H2,1-2H3