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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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