4-[(5Z)-5-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid

Systemtic Name: 4-[(5Z)-5-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Openeye Name: 4-[(5Z)-5-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoic acid CAS Name: 4-[(5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoic acid IUPAC Name: 4-[(5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Traditional Name: 4-[(5Z)-5-(3,5-ditert-butyl-4-hydroxy-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]butyric acid Formula: C22H29NO4S2 MolecularWeight: 435.59996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C2C(=O)N(C(=S)S2)CCCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)O

InChI

InChI=1S/C22H29NO4S2/c1-21(2,3)14-10-13(11-15(18(14)26)22(4,5)6)12-16-19(27)23(20(28)29-16)9-7-8-17(24)25/h10-12,26H,7-9H2,1-6H3,(H,24,25)/b16-12-