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

Systemtic Name: 2-[(5Z)-5-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenyl-propanoic acid Openeye Name: 2-[(5Z)-5-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]-3-phenyl-propanoic acid CAS Name: 2-[(5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-3-phenylpropanoic acid IUPAC Name: 2-[(5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanoic acid Traditional Name: 2-[(5Z)-5-(3,5-ditert-butyl-4-hydroxy-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]-3-phenyl-propionic acid Formula: C27H31NO4S2 MolecularWeight: 497.66934

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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)C(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C\2/C(=O)N(C(=S)S2)C(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C27H31NO4S2/c1-26(2,3)18-12-17(13-19(22(18)29)27(4,5)6)15-21-23(30)28(25(33)34-21)20(24(31)32)14-16-10-8-7-9-11-16/h7-13,15,20,29H,14H2,1-6H3,(H,31,32)/b21-15-