11-[(5E)-5-[(1-methylpyrrol-2-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid

Systemtic Name: 11-[(5E)-5-[(1-methylpyrrol-2-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid Openeye Name: 11-[(5E)-5-[(1-methylpyrrol-2-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]undecanoic acid CAS Name: 11-[(5E)-5-[(1-methyl-2-pyrrolyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]undecanoic acid IUPAC Name: 11-[(5E)-5-[(1-methylpyrrol-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid Traditional Name: 11-[(5E)-4-keto-5-[(1-methylpyrrol-2-yl)methylene]-2-thioxo-thiazolidin-3-yl]undecanoic acid Formula: C20H28N2O3S2 MolecularWeight: 408.57792

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C=C2C(=O)N(C(=S)S2)CCCCCCCCCCC(=O)O

Isomeric SMILES

CN1C=CC=C1/C=C/2\C(=O)N(C(=S)S2)CCCCCCCCCCC(=O)O

InChI

InChI=1S/C20H28N2O3S2/c1-21-13-10-11-16(21)15-17-19(25)22(20(26)27-17)14-9-7-5-3-2-4-6-8-12-18(23)24/h10-11,13,15H,2-9,12,14H2,1H3,(H,23,24)/b17-15+