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

Systemtic Name: 2-[(5Z)-4-oxidanylidene-5-(pyridin-1-ium-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Openeye Name: 2-[(5Z)-4-oxo-5-(pyridin-1-ium-3-ylmethylene)-2-thioxo-thiazolidin-3-yl]butanoate CAS Name: 2-[(5Z)-4-oxo-5-(3-pyridin-1-iumylmethylidene)-2-sulfanylidene-3-thiazolidinyl]butanoate IUPAC Name: 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]butyrate Formula: C13H12N2O3S2 MolecularWeight: 308.37598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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