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

Systemtic Name: 3-[5-[(4-methyl-3-nitro-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Openeye Name: 3-[5-[(4-methyl-3-nitro-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoic acid CAS Name: 3-[5-[(4-methyl-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoic acid IUPAC Name: 3-[5-[(4-methyl-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Traditional Name: 3-[4-keto-5-(4-methyl-3-nitro-benzylidene)-2-thioxo-thiazolidin-3-yl]propionic acid Formula: C14H12N2O5S2 MolecularWeight: 352.38548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O5S2/c1-8-2-3-9(6-10(8)16(20)21)7-11-13(19)15(14(22)23-11)5-4-12(17)18/h2-3,6-7H,4-5H2,1H3,(H,17,18)