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

Systemtic Name: 4-methylsulfanyl-2-[(5E)-4-oxidanylidene-5-(pyridin-1-ium-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Openeye Name: 4-methylsulfanyl-2-[(5E)-4-oxo-5-(pyridin-1-ium-4-ylmethylene)-2-thioxo-thiazolidin-3-yl]butanoate CAS Name: 4-(methylthio)-2-[(5E)-4-oxo-5-(4-pyridin-1-iumylmethylidene)-2-sulfanylidene-3-thiazolidinyl]butanoate IUPAC Name: 4-methylsulfanyl-2-[(5E)-4-oxo-5-(pyridin-1-ium-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Traditional Name: 2-[(5E)-4-keto-5-(pyridin-1-ium-4-ylmethylene)-2-thioxo-thiazolidin-3-yl]-4-(methylthio)butyrate Formula: C14H14N2O3S3 MolecularWeight: 354.46756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])N1C(=O)C(=CC2=CC=[NH+]C=C2)SC1=S

Isomeric SMILES

CSCCC(C(=O)[O-])N1C(=O)/C(=C\C2=CC=[NH+]C=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+