ethyl 2-[3-cyano-4-(dimethylamino)pyridin-1-ium-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[3-cyano-4-(dimethylamino)pyridin-1-ium-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[3-cyano-4-(dimethylamino)pyridin-1-ium-2-yl]sulfanylacetate CAS Name: 2-[[3-cyano-4-(dimethylamino)-2-pyridin-1-iumyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-cyano-4-(dimethylamino)pyridin-1-ium-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-4-(dimethylamino)pyridin-1-ium-2-yl]thio]acetic acid ethyl ester Formula: C12H16N3O2S+ MolecularWeight: 266.33934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=[NH+]C=CC(=C1C#N)N(C)C

Isomeric SMILES

CCOC(=O)CSC1=[NH+]C=CC(=C1C#N)N(C)C

InChI

InChI=1S/C12H15N3O2S/c1-4-17-11(16)8-18-12-9(7-13)10(15(2)3)5-6-14-12/h5-6H,4,8H2,1-3H3/p+1