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

Systemtic Name: 2-[5-[[5-(3-methyl-4-nitro-phenyl)furan-2-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoic acid Openeye Name: 2-[5-[[5-(3-methyl-4-nitro-phenyl)-2-furyl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetic acid CAS Name: 2-[5-[[5-(3-methyl-4-nitrophenyl)-2-furanyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetic acid IUPAC Name: 2-[5-[[5-(3-methyl-4-nitrophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid Traditional Name: 2-[4-keto-5-[[5-(3-methyl-4-nitro-phenyl)-2-furyl]methylene]-2-thioxo-thiazolidin-3-yl]acetic acid Formula: C17H12N2O6S2 MolecularWeight: 404.41698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12N2O6S2/c1-9-6-10(2-4-12(9)19(23)24)13-5-3-11(25-13)7-14-16(22)18(8-15(20)21)17(26)27-14/h2-7H,8H2,1H3,(H,20,21)