2-(3-methylsulfinylphenyl)-3-(10-oxidanyl-10-oxidanylidene-decanoyl)-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 2-(3-methylsulfinylphenyl)-3-(10-oxidanyl-10-oxidanylidene-decanoyl)-1,3-thiazolidine-4-carboxylic acid Openeye Name: 3-(10-hydroxy-10-oxo-decanoyl)-2-(3-methylsulfinylphenyl)thiazolidine-4-carboxylic acid CAS Name: 3-(10-hydroxy-1,10-dioxodecyl)-2-(3-methylsulfinylphenyl)-4-thiazolidinecarboxylic acid IUPAC Name: 3-(10-hydroxy-10-oxodecanoyl)-2-(3-methylsulfinylphenyl)-1,3-thiazolidine-4-carboxylic acid Traditional Name: 3-(10-hydroxy-10-keto-decanoyl)-2-(3-methylsulfinylphenyl)thiazolidine-4-carboxylic acid Formula: C21H29NO6S2 MolecularWeight: 455.58806

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=CC=CC(=C1)C2N(C(CS2)C(=O)O)C(=O)CCCCCCCCC(=O)O

Isomeric SMILES

CS(=O)C1=CC=CC(=C1)C2N(C(CS2)C(=O)O)C(=O)CCCCCCCCC(=O)O

InChI

InChI=1S/C21H29NO6S2/c1-30(28)16-10-8-9-15(13-16)20-22(17(14-29-20)21(26)27)18(23)11-6-4-2-3-5-7-12-19(24)25/h8-10,13,17,20H,2-7,11-12,14H2,1H3,(H,24,25)(H,26,27)