6-[(5E)-5-[[5-(4-methyl-2-nitro-phenyl)furan-2-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate

Systemtic Name: 6-[(5E)-5-[[5-(4-methyl-2-nitro-phenyl)furan-2-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate Openeye Name: 6-[(5E)-5-[[5-(4-methyl-2-nitro-phenyl)-2-furyl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoate CAS Name: 6-[(5E)-5-[[5-(4-methyl-2-nitrophenyl)-2-furanyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]hexanoate IUPAC Name: 6-[(5E)-5-[[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate Traditional Name: 6-[(5E)-4-keto-5-[[5-(4-methyl-2-nitro-phenyl)-2-furyl]methylene]-2-thioxo-thiazolidin-3-yl]hexanoate Formula: C21H19N2O6S2- MolecularWeight: 459.51536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CC=C(O2)C=C3C(=O)N(C(=S)S3)CCCCCC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CC=C(O2)/C=C/3\C(=O)N(C(=S)S3)CCCCCC(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O6S2/c1-13-6-8-15(16(11-13)23(27)28)17-9-7-14(29-17)12-18-20(26)22(21(30)31-18)10-4-2-3-5-19(24)25/h6-9,11-12H,2-5,10H2,1H3,(H,24,25)/p-1/b18-12+