6-[(5Z)-4-oxidanylidene-5-[(3-phenyl-2,1-benzoxazol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

Systemtic Name: 6-[(5Z)-4-oxidanylidene-5-[(3-phenyl-2,1-benzoxazol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Openeye Name: 6-[(5Z)-4-oxo-5-[(3-phenyl-2,1-benzoxazol-5-yl)methylene]-2-thioxo-thiazolidin-3-yl]hexanoic acid CAS Name: 6-[(5Z)-4-oxo-5-[(3-phenyl-2,1-benzoxazol-5-yl)methylidene]-2-sulfanylidene-3-thiazolidinyl]hexanoic acid IUPAC Name: 6-[(5Z)-4-oxo-5-[(3-phenyl-2,1-benzoxazol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Traditional Name: 6-[(5Z)-4-keto-5-[(3-phenylanthranil-5-yl)methylene]-2-thioxo-thiazolidin-3-yl]hexanoic acid Formula: C23H20N2O4S2 MolecularWeight: 452.5459

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C=C4C(=O)N(C(=S)S4)CCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)/C=C\4/C(=O)N(C(=S)S4)CCCCCC(=O)O

InChI

InChI=1S/C23H20N2O4S2/c26-20(27)9-5-2-6-12-25-22(28)19(31-23(25)30)14-15-10-11-18-17(13-15)21(29-24-18)16-7-3-1-4-8-16/h1,3-4,7-8,10-11,13-14H,2,5-6,9,12H2,(H,26,27)/b19-14-