3-hexanoyl-2-(phenylmethyl)-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 3-hexanoyl-2-(phenylmethyl)-1,3-thiazolidine-4-carboxylic acid Openeye Name: 2-benzyl-3-hexanoyl-thiazolidine-4-carboxylic acid CAS Name: 3-(1-oxohexyl)-2-(phenylmethyl)-4-thiazolidinecarboxylic acid IUPAC Name: 2-benzyl-3-hexanoyl-1,3-thiazolidine-4-carboxylic acid Traditional Name: 2-benzyl-3-caproyl-thiazolidine-4-carboxylic acid Formula: C17H23NO3S MolecularWeight: 321.43442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1C(CSC1CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCCC(=O)N1C(CSC1CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H23NO3S/c1-2-3-5-10-15(19)18-14(17(20)21)12-22-16(18)11-13-8-6-4-7-9-13/h4,6-9,14,16H,2-3,5,10-12H2,1H3,(H,20,21)