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

Systemtic Name: 4-[(5E)-5-[(1-methylpyrrol-3-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Openeye Name: 4-[(5E)-5-[(1-methylpyrrol-3-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoate CAS Name: 4-[(5E)-5-[(1-methyl-3-pyrrolyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoate IUPAC Name: 4-[(5E)-5-[(1-methylpyrrol-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Traditional Name: 4-[(5E)-4-keto-5-[(1-methylpyrrol-3-yl)methylene]-2-thioxo-thiazolidin-3-yl]butyrate Formula: C13H13N2O3S2- MolecularWeight: 309.38392

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=C1)C=C2C(=O)N(C(=S)S2)CCCC(=O)[O-]

Isomeric SMILES

CN1C=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)CCCC(=O)[O-]

InChI

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