6-[(5E)-4-oxidanylidene-5-(pyridin-1-ium-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate

Systemtic Name: 6-[(5E)-4-oxidanylidene-5-(pyridin-1-ium-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate Openeye Name: 6-[(5E)-4-oxo-5-(pyridin-1-ium-2-ylmethylene)-2-thioxo-thiazolidin-3-yl]hexanoate CAS Name: 6-[(5E)-4-oxo-5-(2-pyridin-1-iumylmethylidene)-2-sulfanylidene-3-thiazolidinyl]hexanoate IUPAC Name: 6-[(5E)-4-oxo-5-(pyridin-1-ium-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate Traditional Name: 6-[(5E)-4-keto-5-(pyridin-1-ium-2-ylmethylene)-2-thioxo-thiazolidin-3-yl]hexanoate Formula: C15H16N2O3S2 MolecularWeight: 336.42914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O3S2/c18-13(19)7-2-1-5-9-17-14(20)12(22-15(17)21)10-11-6-3-4-8-16-11/h3-4,6,8,10H,1-2,5,7,9H2,(H,18,19)/b12-10+