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

Systemtic Name: 2-[(5E)-4-oxidanylidene-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Openeye Name: 2-[(5E)-4-oxo-5-(4-pyridylmethylene)-2-thioxo-thiazolidin-3-yl]butanoic acid CAS Name: 2-[(5E)-4-oxo-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-3-thiazolidinyl]butanoic acid IUPAC Name: 2-[(5E)-4-oxo-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Traditional Name: 2-[(5E)-4-keto-5-(4-pyridylmethylene)-2-thioxo-thiazolidin-3-yl]butyric acid Formula: C13H12N2O3S2 MolecularWeight: 308.37598

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N1C(=O)C(=CC2=CC=NC=C2)SC1=S

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O3S2/c1-2-9(12(17)18)15-11(16)10(20-13(15)19)7-8-3-5-14-6-4-8/h3-7,9H,2H2,1H3,(H,17,18)/b10-7+