(2R)-2-[(5E)-5-(1H-benzimidazol-2-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methyl-pentanoic acid

Systemtic Name: (2R)-2-[(5E)-5-(1H-benzimidazol-2-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methyl-pentanoic acid Openeye Name: (2R)-2-[(5E)-5-(1H-benzimidazol-2-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]-4-methyl-pentanoic acid CAS Name: (2R)-2-[(5E)-5-(1H-benzimidazol-2-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]-4-methylpentanoic acid IUPAC Name: (2R)-2-[(5E)-5-(1H-benzimidazol-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methylpentanoic acid Traditional Name: (2R)-2-[(5E)-5-(1H-benzimidazol-2-ylmethylene)-4-keto-2-thioxo-thiazolidin-3-yl]-4-methyl-valeric acid Formula: C17H17N3O3S2 MolecularWeight: 375.46518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N1C(=O)C(=CC2=NC3=CC=CC=C3N2)SC1=S

Isomeric SMILES

CC(C)C[C@H](C(=O)O)N1C(=O)/C(=C\C2=NC3=CC=CC=C3N2)/SC1=S

InChI

InChI=1S/C17H17N3O3S2/c1-9(2)7-12(16(22)23)20-15(21)13(25-17(20)24)8-14-18-10-5-3-4-6-11(10)19-14/h3-6,8-9,12H,7H2,1-2H3,(H,18,19)(H,22,23)/b13-8+/t12-/m1/s1