5,5-dimethyl-3-[2-(phenylmethyl)-3-sulfanyl-propanoyl]-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 5,5-dimethyl-3-[2-(phenylmethyl)-3-sulfanyl-propanoyl]-1,3-thiazolidine-4-carboxylic acid Openeye Name: 3-(2-benzyl-3-sulfanyl-propanoyl)-5,5-dimethyl-thiazolidine-4-carboxylic acid CAS Name: 3-[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]-5,5-dimethyl-4-thiazolidinecarboxylic acid IUPAC Name: 3-(2-benzyl-3-sulfanylpropanoyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid Traditional Name: 3-(2-benzyl-3-mercapto-propanoyl)-5,5-dimethyl-thiazolidine-4-carboxylic acid Formula: C16H21NO3S2 MolecularWeight: 339.47284

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CS1)C(=O)C(CC2=CC=CC=C2)CS)C(=O)O)C

Isomeric SMILES

CC1(C(N(CS1)C(=O)C(CC2=CC=CC=C2)CS)C(=O)O)C

InChI

InChI=1S/C16H21NO3S2/c1-16(2)13(15(19)20)17(10-22-16)14(18)12(9-21)8-11-6-4-3-5-7-11/h3-7,12-13,21H,8-10H2,1-2H3,(H,19,20)