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

Systemtic Name: 4-[(5E)-5-[(3-naphthalen-1-yl-2,1-benzoxazol-5-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Openeye Name: 4-[(5E)-5-[[3-(1-naphthyl)-2,1-benzoxazol-5-yl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoic acid CAS Name: 4-[(5E)-5-[[3-(1-naphthalenyl)-2,1-benzoxazol-5-yl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoic acid IUPAC Name: 4-[(5E)-5-[(3-naphthalen-1-yl-2,1-benzoxazol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Traditional Name: 4-[(5E)-4-keto-5-[[3-(1-naphthyl)anthranil-5-yl]methylene]-2-thioxo-thiazolidin-3-yl]butyric acid Formula: C25H18N2O4S2 MolecularWeight: 474.55142

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C3=C4C=C(C=CC4=NO3)C=C5C(=O)N(C(=S)S5)CCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C3=C4C=C(C=CC4=NO3)/C=C/5\C(=O)N(C(=S)S5)CCCC(=O)O

InChI

InChI=1S/C25H18N2O4S2/c28-22(29)9-4-12-27-24(30)21(33-25(27)32)14-15-10-11-20-19(13-15)23(31-26-20)18-8-3-6-16-5-1-2-7-17(16)18/h1-3,5-8,10-11,13-14H,4,9,12H2,(H,28,29)/b21-14+