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

Systemtic Name: 3-[4-(3,4-dimethoxyphenyl)-3-ethanoylsulfanyl-4-oxidanylidene-butanoyl]-1,3-thiazolidine-4-carboxylic acid Openeye Name: 3-[3-acetylsulfanyl-4-(3,4-dimethoxyphenyl)-4-oxo-butanoyl]thiazolidine-4-carboxylic acid CAS Name: 3-[3-(acetylthio)-4-(3,4-dimethoxyphenyl)-1,4-dioxobutyl]-4-thiazolidinecarboxylic acid IUPAC Name: 3-[3-acetylsulfanyl-4-(3,4-dimethoxyphenyl)-4-oxobutanoyl]-1,3-thiazolidine-4-carboxylic acid Traditional Name: 3-[3-(acetylthio)-4-(3,4-dimethoxyphenyl)-4-keto-butanoyl]thiazolidine-4-carboxylic acid Formula: C18H21NO7S2 MolecularWeight: 427.49184

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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)OC)OC

Isomeric SMILES

CC(=O)SC(CC(=O)N1CSCC1C(=O)O)C(=O)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C18H21NO7S2/c1-10(20)28-15(7-16(21)19-9-27-8-12(19)18(23)24)17(22)11-4-5-13(25-2)14(6-11)26-3/h4-6,12,15H,7-9H2,1-3H3,(H,23,24)