3-[3-ethanoylsulfanyl-4-(3-fluorophenyl)-2-methyl-4-oxidanylidene-butanoyl]-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 3-[3-ethanoylsulfanyl-4-(3-fluorophenyl)-2-methyl-4-oxidanylidene-butanoyl]-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid Openeye Name: 3-[3-acetylsulfanyl-4-(3-fluorophenyl)-2-methyl-4-oxo-butanoyl]-2,2-dimethyl-thiazolidine-4-carboxylic acid CAS Name: 3-[3-(acetylthio)-4-(3-fluorophenyl)-2-methyl-1,4-dioxobutyl]-2,2-dimethyl-4-thiazolidinecarboxylic acid IUPAC Name: 3-[3-acetylsulfanyl-4-(3-fluorophenyl)-2-methyl-4-oxobutanoyl]-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid Traditional Name: 3-[3-(acetylthio)-4-(3-fluorophenyl)-4-keto-2-methyl-butanoyl]-2,2-dimethyl-thiazolidine-4-carboxylic acid Formula: C19H22FNO5S2 MolecularWeight: 427.510083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)C1=CC(=CC=C1)F)SC(=O)C)C(=O)N2C(CSC2(C)C)C(=O)O

Isomeric SMILES

CC(C(C(=O)C1=CC(=CC=C1)F)SC(=O)C)C(=O)N2C(CSC2(C)C)C(=O)O

InChI

InChI=1S/C19H22FNO5S2/c1-10(17(24)21-14(18(25)26)9-27-19(21,3)4)16(28-11(2)22)15(23)12-6-5-7-13(20)8-12/h5-8,10,14,16H,9H2,1-4H3,(H,25,26)