3-methyl-2-[(5E)-4-oxidanylidene-5-(pyridin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid

Systemtic Name: 3-methyl-2-[(5E)-4-oxidanylidene-5-(pyridin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Openeye Name: 3-methyl-2-[(5E)-4-oxo-5-(2-pyridylmethylene)-2-thioxo-thiazolidin-3-yl]butanoic acid CAS Name: 3-methyl-2-[(5E)-4-oxo-5-(2-pyridinylmethylidene)-2-sulfanylidene-3-thiazolidinyl]butanoic acid IUPAC Name: 3-methyl-2-[(5E)-4-oxo-5-(pyridin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Traditional Name: 2-[(5E)-4-keto-5-(2-pyridylmethylene)-2-thioxo-thiazolidin-3-yl]-3-methyl-butyric acid Formula: C14H14N2O3S2 MolecularWeight: 322.40256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N1C(=O)C(=CC2=CC=CC=N2)SC1=S

Isomeric SMILES

CC(C)C(C(=O)O)N1C(=O)/C(=C\C2=CC=CC=N2)/SC1=S

InChI

InChI=1S/C14H14N2O3S2/c1-8(2)11(13(18)19)16-12(17)10(21-14(16)20)7-9-5-3-4-6-15-9/h3-8,11H,1-2H3,(H,18,19)/b10-7+