5,5-dimethyl-3-[4-phenyl-2-(sulfanylmethyl)butanoyl]-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 5,5-dimethyl-3-[4-phenyl-2-(sulfanylmethyl)butanoyl]-1,3-thiazolidine-4-carboxylic acid Openeye Name: 5,5-dimethyl-3-[4-phenyl-2-(sulfanylmethyl)butanoyl]thiazolidine-4-carboxylic acid CAS Name: 3-[2-(mercaptomethyl)-1-oxo-4-phenylbutyl]-5,5-dimethyl-4-thiazolidinecarboxylic acid IUPAC Name: 5,5-dimethyl-3-[4-phenyl-2-(sulfanylmethyl)butanoyl]-1,3-thiazolidine-4-carboxylic acid Traditional Name: 3-[2-(mercaptomethyl)-4-phenyl-butanoyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid Formula: C17H23NO3S2 MolecularWeight: 353.49942

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CS1)C(=O)C(CCC2=CC=CC=C2)CS)C(=O)O)C

Isomeric SMILES

CC1(C(N(CS1)C(=O)C(CCC2=CC=CC=C2)CS)C(=O)O)C

InChI

InChI=1S/C17H23NO3S2/c1-17(2)14(16(20)21)18(11-23-17)15(19)13(10-22)9-8-12-6-4-3-5-7-12/h3-7,13-14,22H,8-11H2,1-2H3,(H,20,21)