2-[(5E)-5-[(1-methylpyrrol-2-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid

Systemtic Name: 2-[(5E)-5-[(1-methylpyrrol-2-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Openeye Name: 2-[(5E)-5-[(1-methylpyrrol-2-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoic acid CAS Name: 2-[(5E)-5-[(1-methyl-2-pyrrolyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoic acid IUPAC Name: 2-[(5E)-5-[(1-methylpyrrol-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Traditional Name: 2-[(5E)-4-keto-5-[(1-methylpyrrol-2-yl)methylene]-2-thioxo-thiazolidin-3-yl]butyric acid Formula: C13H14N2O3S2 MolecularWeight: 310.39186

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N1C(=O)C(=CC2=CC=CN2C)SC1=S

Isomeric SMILES

CCC(C(=O)O)N1C(=O)/C(=C\C2=CC=CN2C)/SC1=S

InChI

InChI=1S/C13H14N2O3S2/c1-3-9(12(17)18)15-11(16)10(20-13(15)19)7-8-5-4-6-14(8)2/h4-7,9H,3H2,1-2H3,(H,17,18)/b10-7+