7-(5,5-dimethyl-2-oxidanyl-2-phenyl-1,3-thiazolidin-4-yl)-2-oxidanylidene-3-(oxidanylidenemethylidene)heptanoic acid

Systemtic Name: 7-(5,5-dimethyl-2-oxidanyl-2-phenyl-1,3-thiazolidin-4-yl)-2-oxidanylidene-3-(oxidanylidenemethylidene)heptanoic acid Openeye Name: 7-(2-hydroxy-5,5-dimethyl-2-phenyl-thiazolidin-4-yl)-2-oxo-3-(oxomethylene)heptanoic acid CAS Name: 7-(2-hydroxy-5,5-dimethyl-2-phenyl-4-thiazolidinyl)-2-oxo-3-(oxomethylidene)heptanoic acid IUPAC Name: 7-(2-hydroxy-5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-yl)-2-oxo-3-(oxomethylidene)heptanoic acid Traditional Name: 3-[4-(2-hydroxy-5,5-dimethyl-2-phenyl-thiazolidin-4-yl)butyl]-2,4-diketo-but-3-enoic acid Formula: C19H23NO5S MolecularWeight: 377.45462

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(NC(S1)(C2=CC=CC=C2)O)CCCCC(=C=O)C(=O)C(=O)O)C

Isomeric SMILES

CC1(C(NC(S1)(C2=CC=CC=C2)O)CCCCC(=C=O)C(=O)C(=O)O)C

InChI

InChI=1S/C19H23NO5S/c1-18(2)15(11-7-6-8-13(12-21)16(22)17(23)24)20-19(25,26-18)14-9-4-3-5-10-14/h3-5,9-10,15,20,25H,6-8,11H2,1-2H3,(H,23,24)