3-[4-[4-(4-chloranylphenoxy)phenyl]-3-ethanoylsulfanyl-4-oxidanylidene-butanoyl]-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 3-[4-[4-(4-chloranylphenoxy)phenyl]-3-ethanoylsulfanyl-4-oxidanylidene-butanoyl]-1,3-thiazolidine-4-carboxylic acid Openeye Name: 3-[3-acetylsulfanyl-4-[4-(4-chlorophenoxy)phenyl]-4-oxo-butanoyl]thiazolidine-4-carboxylic acid CAS Name: 3-[3-(acetylthio)-4-[4-(4-chlorophenoxy)phenyl]-1,4-dioxobutyl]-4-thiazolidinecarboxylic acid IUPAC Name: 3-[3-acetylsulfanyl-4-[4-(4-chlorophenoxy)phenyl]-4-oxobutanoyl]-1,3-thiazolidine-4-carboxylic acid Traditional Name: 3-[3-(acetylthio)-4-[4-(4-chlorophenoxy)phenyl]-4-keto-butanoyl]thiazolidine-4-carboxylic acid Formula: C22H20ClNO6S2 MolecularWeight: 493.9803

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC(=O)N1CSCC1C(=O)O)C(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)SC(CC(=O)N1CSCC1C(=O)O)C(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H20ClNO6S2/c1-13(25)32-19(10-20(26)24-12-31-11-18(24)22(28)29)21(27)14-2-6-16(7-3-14)30-17-8-4-15(23)5-9-17/h2-9,18-19H,10-12H2,1H3,(H,28,29)