4-[(5E)-5-[(4-tert-butylphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid

Systemtic Name: 4-[(5E)-5-[(4-tert-butylphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Openeye Name: 4-[(5E)-5-[(4-tert-butylphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoic acid CAS Name: 4-[(5E)-5-[(4-tert-butylphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoic acid IUPAC Name: 4-[(5E)-5-[(4-tert-butylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Traditional Name: 4-[(5E)-5-(4-tert-butylbenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]butyric acid Formula: C18H21NO3S2 MolecularWeight: 363.49424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO3S2/c1-18(2,3)13-8-6-12(7-9-13)11-14-16(22)19(17(23)24-14)10-4-5-15(20)21/h6-9,11H,4-5,10H2,1-3H3,(H,20,21)/b14-11+