3-[3-ethanoylsulfanyl-4-(4-phenoxyphenyl)butanoyl]-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 3-[3-ethanoylsulfanyl-4-(4-phenoxyphenyl)butanoyl]-1,3-thiazolidine-4-carboxylic acid Openeye Name: 3-[3-acetylsulfanyl-4-(4-phenoxyphenyl)butanoyl]thiazolidine-4-carboxylic acid CAS Name: 3-[3-(acetylthio)-1-oxo-4-(4-phenoxyphenyl)butyl]-4-thiazolidinecarboxylic acid IUPAC Name: 3-[3-acetylsulfanyl-4-(4-phenoxyphenyl)butanoyl]-1,3-thiazolidine-4-carboxylic acid Traditional Name: 3-[3-(acetylthio)-4-(4-phenoxyphenyl)butanoyl]thiazolidine-4-carboxylic acid Formula: C22H23NO5S2 MolecularWeight: 445.55172

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC1=CC=C(C=C1)OC2=CC=CC=C2)CC(=O)N3CSCC3C(=O)O

Isomeric SMILES

CC(=O)SC(CC1=CC=C(C=C1)OC2=CC=CC=C2)CC(=O)N3CSCC3C(=O)O

InChI

InChI=1S/C22H23NO5S2/c1-15(24)30-19(12-21(25)23-14-29-13-20(23)22(26)27)11-16-7-9-18(10-8-16)28-17-5-3-2-4-6-17/h2-10,19-20H,11-14H2,1H3,(H,26,27)