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

Systemtic Name: 4-methylsulfanyl-2-[(5E)-4-oxidanylidene-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Openeye Name: 4-methylsulfanyl-2-[(5E)-4-oxo-5-(4-pyridylmethylene)-2-thioxo-thiazolidin-3-yl]butanoic acid CAS Name: 4-(methylthio)-2-[(5E)-4-oxo-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-3-thiazolidinyl]butanoic acid IUPAC Name: 4-methylsulfanyl-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]-4-(methylthio)butyric acid Formula: C14H14N2O3S3 MolecularWeight: 354.46756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O3S3/c1-21-7-4-10(13(18)19)16-12(17)11(22-14(16)20)8-9-2-5-15-6-3-9/h2-3,5-6,8,10H,4,7H2,1H3,(H,18,19)/b11-8+