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

Systemtic Name: 7-[5,5-dimethyl-2-oxidanyl-2-(phenylmethyl)-1,3-thiazolidin-4-yl]-2-oxidanylidene-3-(oxidanylidenemethylidene)heptanoic acid Openeye Name: 7-(2-benzyl-2-hydroxy-5,5-dimethyl-thiazolidin-4-yl)-2-oxo-3-(oxomethylene)heptanoic acid CAS Name: 7-[2-hydroxy-5,5-dimethyl-2-(phenylmethyl)-4-thiazolidinyl]-2-oxo-3-(oxomethylidene)heptanoic acid IUPAC Name: 7-(2-benzyl-2-hydroxy-5,5-dimethyl-1,3-thiazolidin-4-yl)-2-oxo-3-(oxomethylidene)heptanoic acid Traditional Name: 3-[4-(2-benzyl-2-hydroxy-5,5-dimethyl-thiazolidin-4-yl)butyl]-2,4-diketo-but-3-enoic acid Formula: C20H25NO5S MolecularWeight: 391.4812

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(NC(S1)(CC2=CC=CC=C2)O)CCCCC(=C=O)C(=O)C(=O)O)C

Isomeric SMILES

CC1(C(NC(S1)(CC2=CC=CC=C2)O)CCCCC(=C=O)C(=O)C(=O)O)C

InChI

InChI=1S/C20H25NO5S/c1-19(2)16(11-7-6-10-15(13-22)17(23)18(24)25)21-20(26,27-19)12-14-8-4-3-5-9-14/h3-5,8-9,16,21,26H,6-7,10-12H2,1-2H3,(H,24,25)