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

Systemtic Name: 4-[5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Openeye Name: 4-[5-[[5-(3-nitrophenyl)-2-furyl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoic acid CAS Name: 4-[5-[[5-(3-nitrophenyl)-2-furanyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoic acid IUPAC Name: 4-[5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Traditional Name: 4-[4-keto-5-[[5-(3-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(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C=C3C(=O)N(C(=S)S3)CCCC(=O)O

Isomeric SMILES

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

InChI

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