methyl 4-[3-(4,4-dimethyl-5-oxidanyl-pentyl)-4-oxidanylidene-1,3-thiazolidin-2-yl]benzoate

Systemtic Name: methyl 4-[3-(4,4-dimethyl-5-oxidanyl-pentyl)-4-oxidanylidene-1,3-thiazolidin-2-yl]benzoate Openeye Name: methyl 4-[3-(5-hydroxy-4,4-dimethyl-pentyl)-4-oxo-thiazolidin-2-yl]benzoate CAS Name: 4-[3-(5-hydroxy-4,4-dimethylpentyl)-4-oxo-2-thiazolidinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(5-hydroxy-4,4-dimethylpentyl)-4-oxo-1,3-thiazolidin-2-yl]benzoate Traditional Name: 4-[3-(5-hydroxy-4,4-dimethyl-pentyl)-4-keto-thiazolidin-2-yl]benzoic acid methyl ester Formula: C18H25NO4S MolecularWeight: 351.4604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCN1C(SCC1=O)C2=CC=C(C=C2)C(=O)OC)CO

Isomeric SMILES

CC(C)(CCCN1C(SCC1=O)C2=CC=C(C=C2)C(=O)OC)CO

InChI

InChI=1S/C18H25NO4S/c1-18(2,12-20)9-4-10-19-15(21)11-24-16(19)13-5-7-14(8-6-13)17(22)23-3/h5-8,16,20H,4,9-12H2,1-3H3