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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O3S2/c16-11(17)5-3-7-15-12(18)10(20-13(15)19)8-9-4-1-2-6-14-9/h1-2,4,6,8H,3,5,7H2,(H,16,17)