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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[NH+]=CC=C1C=C2C(=O)N(C(=S)S2)CCCC(=O)[O-]

Isomeric SMILES

C1=C[NH+]=CC=C1/C=C/2\C(=O)N(C(=S)S2)CCCC(=O)[O-]

InChI

InChI=1S/C13H12N2O3S2/c16-11(17)2-1-7-15-12(18)10(20-13(15)19)8-9-3-5-14-6-4-9/h3-6,8H,1-2,7H2,(H,16,17)/b10-8+