(2S)-2-[(5E)-4-oxidanylidene-5-(piperidin-1-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

Systemtic Name: (2S)-2-[(5E)-4-oxidanylidene-5-(piperidin-1-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Openeye Name: (2S)-2-[(5E)-4-oxo-5-(1-piperidylmethylene)-2-thioxo-thiazolidin-3-yl]propanoic acid CAS Name: (2S)-2-[(5E)-4-oxo-5-(1-piperidinylmethylidene)-2-sulfanylidene-3-thiazolidinyl]propanoic acid IUPAC Name: (2S)-2-[(5E)-4-oxo-5-(piperidin-1-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Traditional Name: (2S)-2-[(5E)-4-keto-5-(piperidinomethylene)-2-thioxo-thiazolidin-3-yl]propionic acid Formula: C12H16N2O3S2 MolecularWeight: 300.39704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1C(=O)C(=CN2CCCCC2)SC1=S

Isomeric SMILES

C[C@@H](C(=O)O)N1C(=O)/C(=C\N2CCCCC2)/SC1=S

InChI

InChI=1S/C12H16N2O3S2/c1-8(11(16)17)14-10(15)9(19-12(14)18)7-13-5-3-2-4-6-13/h7-8H,2-6H2,1H3,(H,16,17)/b9-7+/t8-/m0/s1