2-[[(5E)-3-ethyl-4-oxidanylidene-5-(phenylazanylmethylidene)-1,3-thiazol-3-ium-2-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[(5E)-3-ethyl-4-oxidanylidene-5-(phenylazanylmethylidene)-1,3-thiazol-3-ium-2-yl]sulfanyl]ethanoate Openeye Name: 2-[(5E)-5-(anilinomethylene)-3-ethyl-4-oxo-thiazol-3-ium-2-yl]sulfanylacetate CAS Name: 2-[[(5E)-5-(anilinomethylidene)-3-ethyl-4-oxo-2-thiazol-3-iumyl]thio]acetate IUPAC Name: 2-[[(5E)-5-(anilinomethylidene)-3-ethyl-4-oxo-1,3-thiazol-3-ium-2-yl]sulfanyl]acetate Traditional Name: 2-[[(5E)-5-(anilinomethylene)-3-ethyl-4-keto-2-thiazolin-3-ium-2-yl]thio]acetate Formula: C14H14N2O3S2 MolecularWeight: 322.40256

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC(=CNC2=CC=CC=C2)C1=O)SCC(=O)[O-]

Isomeric SMILES

CC[N+]1=C(S/C(=C/NC2=CC=CC=C2)/C1=O)SCC(=O)[O-]

InChI

InChI=1S/C14H14N2O3S2/c1-2-16-13(19)11(21-14(16)20-9-12(17)18)8-15-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H-,15,17,18,19)