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

Systemtic Name: methyl 4-[3-(2,2-dimethyl-3-oxidanyl-propyl)-4-oxidanylidene-1,3-thiazolidin-2-yl]benzoate Openeye Name: methyl 4-[3-(3-hydroxy-2,2-dimethyl-propyl)-4-oxo-thiazolidin-2-yl]benzoate CAS Name: 4-[3-(3-hydroxy-2,2-dimethylpropyl)-4-oxo-2-thiazolidinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(3-hydroxy-2,2-dimethylpropyl)-4-oxo-1,3-thiazolidin-2-yl]benzoate Traditional Name: 4-[3-(3-hydroxy-2,2-dimethyl-propyl)-4-keto-thiazolidin-2-yl]benzoic acid methyl ester Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN1C(SCC1=O)C2=CC=C(C=C2)C(=O)OC)CO

Isomeric SMILES

CC(C)(CN1C(SCC1=O)C2=CC=C(C=C2)C(=O)OC)CO

InChI

InChI=1S/C16H21NO4S/c1-16(2,10-18)9-17-13(19)8-22-14(17)11-4-6-12(7-5-11)15(20)21-3/h4-7,14,18H,8-10H2,1-3H3