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

Systemtic Name: 4-methyl-2-[(5E)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanoic acid Openeye Name: 4-methyl-2-[(5E)-5-[[5-(4-nitrophenyl)-2-furyl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]pentanoic acid CAS Name: 4-methyl-2-[(5E)-5-[[5-(4-nitrophenyl)-2-furanyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]pentanoic acid IUPAC Name: 4-methyl-2-[(5E)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanoic acid Traditional Name: 2-[(5E)-4-keto-5-[[5-(4-nitrophenyl)-2-furyl]methylene]-2-thioxo-thiazolidin-3-yl]-4-methyl-valeric acid Formula: C20H18N2O6S2 MolecularWeight: 446.49672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N1C(=O)C(=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])SC1=S

Isomeric SMILES

CC(C)CC(C(=O)O)N1C(=O)/C(=C\C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])/SC1=S

InChI

InChI=1S/C20H18N2O6S2/c1-11(2)9-15(19(24)25)21-18(23)17(30-20(21)29)10-14-7-8-16(28-14)12-3-5-13(6-4-12)22(26)27/h3-8,10-11,15H,9H2,1-2H3,(H,24,25)/b17-10+