2-(2-hydroxyphenyl)-3-[3-(octyldisulfanyl)propanoyl]-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 2-(2-hydroxyphenyl)-3-[3-(octyldisulfanyl)propanoyl]-1,3-thiazolidine-4-carboxylic acid Openeye Name: 2-(2-hydroxyphenyl)-3-[3-(octyldisulfanyl)propanoyl]thiazolidine-4-carboxylic acid CAS Name: 2-(2-hydroxyphenyl)-3-[3-(octyldisulfanyl)-1-oxopropyl]-4-thiazolidinecarboxylic acid IUPAC Name: 2-(2-hydroxyphenyl)-3-[3-(octyldisulfanyl)propanoyl]-1,3-thiazolidine-4-carboxylic acid Traditional Name: 2-(2-hydroxyphenyl)-3-[3-(octyldisulfanyl)propanoyl]thiazolidine-4-carboxylic acid Formula: C21H31NO4S3 MolecularWeight: 457.67014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSSCCC(=O)N1C(CSC1C2=CC=CC=C2O)C(=O)O

Isomeric SMILES

CCCCCCCCSSCCC(=O)N1C(CSC1C2=CC=CC=C2O)C(=O)O

InChI

InChI=1S/C21H31NO4S3/c1-2-3-4-5-6-9-13-28-29-14-12-19(24)22-17(21(25)26)15-27-20(22)16-10-7-8-11-18(16)23/h7-8,10-11,17,20,23H,2-6,9,12-15H2,1H3,(H,25,26)