2-(3-methoxy-2-oxidanyl-phenyl)-3-[3-oxidanylidene-3-phenyl-2-(sulfanylmethyl)propanoyl]-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 2-(3-methoxy-2-oxidanyl-phenyl)-3-[3-oxidanylidene-3-phenyl-2-(sulfanylmethyl)propanoyl]-1,3-thiazolidine-4-carboxylic acid Openeye Name: 2-(2-hydroxy-3-methoxy-phenyl)-3-[3-oxo-3-phenyl-2-(sulfanylmethyl)propanoyl]thiazolidine-4-carboxylic acid CAS Name: 2-(2-hydroxy-3-methoxyphenyl)-3-[2-(mercaptomethyl)-1,3-dioxo-3-phenylpropyl]-4-thiazolidinecarboxylic acid IUPAC Name: 2-(2-hydroxy-3-methoxyphenyl)-3-[3-oxo-3-phenyl-2-(sulfanylmethyl)propanoyl]-1,3-thiazolidine-4-carboxylic acid Traditional Name: 2-(2-hydroxy-3-methoxy-phenyl)-3-[3-keto-2-(mercaptomethyl)-3-phenyl-propanoyl]thiazolidine-4-carboxylic acid Formula: C21H21NO6S2 MolecularWeight: 447.52454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1O)C2N(C(CS2)C(=O)O)C(=O)C(CS)C(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1O)C2N(C(CS2)C(=O)O)C(=O)C(CS)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21NO6S2/c1-28-16-9-5-8-13(18(16)24)20-22(15(11-30-20)21(26)27)19(25)14(10-29)17(23)12-6-3-2-4-7-12/h2-9,14-15,20,24,29H,10-11H2,1H3,(H,26,27)