2-[(5E)-5-[[5-(1-adamantyl)-2-oxidanyl-phenyl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoate

Systemtic Name: 2-[(5E)-5-[[5-(1-adamantyl)-2-oxidanyl-phenyl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoate Openeye Name: 2-[(5E)-5-[[5-(1-adamantyl)-2-hydroxy-phenyl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetate CAS Name: 2-[(5E)-5-[[5-(1-adamantyl)-2-hydroxyphenyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetate IUPAC Name: 2-[(5E)-5-[[5-(1-adamantyl)-2-hydroxyphenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate Traditional Name: 2-[(5E)-5-[5-(1-adamantyl)-2-hydroxy-benzylidene]-4-keto-2-thioxo-thiazolidin-3-yl]acetate Formula: C22H22NO4S2- MolecularWeight: 428.54438

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC(=C(C=C4)O)C=C5C(=O)N(C(=S)S5)CC(=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC(=C(C=C4)O)/C=C/5\C(=O)N(C(=S)S5)CC(=O)[O-]

InChI

InChI=1S/C22H23NO4S2/c24-17-2-1-16(22-8-12-3-13(9-22)5-14(4-12)10-22)6-15(17)7-18-20(27)23(11-19(25)26)21(28)29-18/h1-2,6-7,12-14,24H,3-5,8-11H2,(H,25,26)/p-1/b18-7+