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

Systemtic Name: 3-hexanoyl-2-(3-phenoxyphenyl)-1,3-thiazolidine-4-carboxylic acid Openeye Name: 3-hexanoyl-2-(3-phenoxyphenyl)thiazolidine-4-carboxylic acid CAS Name: 3-(1-oxohexyl)-2-(3-phenoxyphenyl)-4-thiazolidinecarboxylic acid IUPAC Name: 3-hexanoyl-2-(3-phenoxyphenyl)-1,3-thiazolidine-4-carboxylic acid Traditional Name: 3-caproyl-2-(3-phenoxyphenyl)thiazolidine-4-carboxylic acid Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1C(CSC1C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCCC(=O)N1C(CSC1C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H25NO4S/c1-2-3-5-13-20(24)23-19(22(25)26)15-28-21(23)16-9-8-12-18(14-16)27-17-10-6-4-7-11-17/h4,6-12,14,19,21H,2-3,5,13,15H2,1H3,(H,25,26)