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

Systemtic Name: 3-[(5Z)-5-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Openeye Name: 3-[(5Z)-5-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoic acid CAS Name: 3-[(5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoic acid IUPAC Name: 3-[(5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Traditional Name: 3-[(5Z)-5-(3,5-ditert-butyl-4-hydroxy-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]propionic acid Formula: C21H27NO4S2 MolecularWeight: 421.57338

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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)CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO4S2/c1-20(2,3)13-9-12(10-14(17(13)25)21(4,5)6)11-15-18(26)22(19(27)28-15)8-7-16(23)24/h9-11,25H,7-8H2,1-6H3,(H,23,24)/b15-11-