2-[3,4-bis(oxidanyl)phenyl]-3-(3-sulfanylpropanoyl)-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 2-[3,4-bis(oxidanyl)phenyl]-3-(3-sulfanylpropanoyl)-1,3-thiazolidine-4-carboxylic acid Openeye Name: 2-(3,4-dihydroxyphenyl)-3-(3-sulfanylpropanoyl)thiazolidine-4-carboxylic acid CAS Name: 2-(3,4-dihydroxyphenyl)-3-(3-mercapto-1-oxopropyl)-4-thiazolidinecarboxylic acid IUPAC Name: 2-(3,4-dihydroxyphenyl)-3-(3-sulfanylpropanoyl)-1,3-thiazolidine-4-carboxylic acid Traditional Name: 2-(3,4-dihydroxyphenyl)-3-(3-mercaptopropanoyl)thiazolidine-4-carboxylic acid Formula: C13H15NO5S2 MolecularWeight: 329.3919

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C(S1)C2=CC(=C(C=C2)O)O)C(=O)CCS)C(=O)O

Isomeric SMILES

C1C(N(C(S1)C2=CC(=C(C=C2)O)O)C(=O)CCS)C(=O)O

InChI

InChI=1S/C13H15NO5S2/c15-9-2-1-7(5-10(9)16)12-14(11(17)3-4-20)8(6-21-12)13(18)19/h1-2,5,8,12,15-16,20H,3-4,6H2,(H,18,19)