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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O3S2/c18-13(19)4-2-1-3-9-17-14(20)12(22-15(17)21)10-11-5-7-16-8-6-11/h5-8,10H,1-4,9H2,(H,18,19)/b12-10-