4-[5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid

Systemtic Name: 4-[5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Openeye Name: 4-[5-[[5-(2-nitrophenyl)-2-furyl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoic acid CAS Name: 4-[5-[[5-(2-nitrophenyl)-2-furanyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoic acid IUPAC Name: 4-[5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Traditional Name: 4-[4-keto-5-[[5-(2-nitrophenyl)-2-furyl]methylene]-2-thioxo-thiazolidin-3-yl]butyric acid Formula: C18H14N2O6S2 MolecularWeight: 418.44356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(O2)C=C3C(=O)N(C(=S)S3)CCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(O2)C=C3C(=O)N(C(=S)S3)CCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H14N2O6S2/c21-16(22)6-3-9-19-17(23)15(28-18(19)27)10-11-7-8-14(26-11)12-4-1-2-5-13(12)20(24)25/h1-2,4-5,7-8,10H,3,6,9H2,(H,21,22)