2-(3-cyanophenyl)-3-(12-oxidanyl-12-oxidanylidene-dodecanoyl)-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 2-(3-cyanophenyl)-3-(12-oxidanyl-12-oxidanylidene-dodecanoyl)-1,3-thiazolidine-4-carboxylic acid Openeye Name: 2-(3-cyanophenyl)-3-(12-hydroxy-12-oxo-dodecanoyl)thiazolidine-4-carboxylic acid CAS Name: 2-(3-cyanophenyl)-3-(12-hydroxy-1,12-dioxododecyl)-4-thiazolidinecarboxylic acid IUPAC Name: 2-(3-cyanophenyl)-3-(12-hydroxy-12-oxododecanoyl)-1,3-thiazolidine-4-carboxylic acid Traditional Name: 2-(3-cyanophenyl)-3-(12-hydroxy-12-keto-dodecanoyl)thiazolidine-4-carboxylic acid Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C(S1)C2=CC=CC(=C2)C#N)C(=O)CCCCCCCCCCC(=O)O)C(=O)O

Isomeric SMILES

C1C(N(C(S1)C2=CC=CC(=C2)C#N)C(=O)CCCCCCCCCCC(=O)O)C(=O)O

InChI

InChI=1S/C23H30N2O5S/c24-15-17-10-9-11-18(14-17)22-25(19(16-31-22)23(29)30)20(26)12-7-5-3-1-2-4-6-8-13-21(27)28/h9-11,14,19,22H,1-8,12-13,16H2,(H,27,28)(H,29,30)