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

Systemtic Name: 2-[(5E)-5-[(1-methylbenzimidazol-2-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Openeye Name: 2-[(5E)-5-[(1-methylbenzimidazol-2-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoic acid CAS Name: 2-[(5E)-5-[(1-methyl-2-benzimidazolyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]hexanoic acid IUPAC Name: 2-[(5E)-5-[(1-methylbenzimidazol-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Traditional Name: 2-[(5E)-4-keto-5-[(1-methylbenzimidazol-2-yl)methylene]-2-thioxo-thiazolidin-3-yl]hexanoic acid Formula: C18H19N3O3S2 MolecularWeight: 389.49176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)N1C(=O)C(=CC2=NC3=CC=CC=C3N2C)SC1=S

Isomeric SMILES

CCCCC(C(=O)O)N1C(=O)/C(=C\C2=NC3=CC=CC=C3N2C)/SC1=S

InChI

InChI=1S/C18H19N3O3S2/c1-3-4-8-13(17(23)24)21-16(22)14(26-18(21)25)10-15-19-11-7-5-6-9-12(11)20(15)2/h5-7,9-10,13H,3-4,8H2,1-2H3,(H,23,24)/b14-10+