2-[2-[2-(4-acetyloxy-3,5-dimethyl-phenyl)-4-oxidanylidene-1,3-thiazolidin-3-yl]ethyl]-2-oxidanyl-propanedioic acid

Systemtic Name: 2-[2-[2-(4-acetyloxy-3,5-dimethyl-phenyl)-4-oxidanylidene-1,3-thiazolidin-3-yl]ethyl]-2-oxidanyl-propanedioic acid Openeye Name: 2-[2-[2-(4-acetoxy-3,5-dimethyl-phenyl)-4-oxo-thiazolidin-3-yl]ethyl]-2-hydroxy-propanedioic acid CAS Name: 2-[2-[2-(4-acetyloxy-3,5-dimethylphenyl)-4-oxo-3-thiazolidinyl]ethyl]-2-hydroxypropanedioic acid IUPAC Name: 2-[2-[2-(4-acetyloxy-3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-2-hydroxypropanedioic acid Traditional Name: 2-[2-[2-(4-acetoxy-3,5-dimethyl-phenyl)-4-keto-thiazolidin-3-yl]ethyl]-2-hydroxy-malonic acid Formula: C18H21NO8S MolecularWeight: 411.42624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C)C)C2N(C(=O)CS2)CCC(C(=O)O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C)C)C2N(C(=O)CS2)CCC(C(=O)O)(C(=O)O)O

InChI

InChI=1S/C18H21NO8S/c1-9-6-12(7-10(2)14(9)27-11(3)20)15-19(13(21)8-28-15)5-4-18(26,16(22)23)17(24)25/h6-7,15,26H,4-5,8H2,1-3H3,(H,22,23)(H,24,25)