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

Systemtic Name: 2-[5-[(4-methyl-3-nitro-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoic acid Openeye Name: 2-[5-[(4-methyl-3-nitro-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetic acid CAS Name: 2-[5-[(4-methyl-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetic acid IUPAC Name: 2-[5-[(4-methyl-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid Traditional Name: 2-[4-keto-5-(4-methyl-3-nitro-benzylidene)-2-thioxo-thiazolidin-3-yl]acetic acid Formula: C13H10N2O5S2 MolecularWeight: 338.3589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)CC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H10N2O5S2/c1-7-2-3-8(4-9(7)15(19)20)5-10-12(18)14(6-11(16)17)13(21)22-10/h2-5H,6H2,1H3,(H,16,17)