2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-6-yl)sulfanyl]ethanoate

Systemtic Name: 2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-6-yl)sulfanyl]ethanoate Openeye Name: 2-[(5-cyano-3,3-dimethyl-8-morpholino-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-6-yl)sulfanyl]acetate CAS Name: 2-[[5-cyano-3,3-dimethyl-8-(4-morpholinyl)-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-6-yl]thio]acetate IUPAC Name: 2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-6-yl)sulfanyl]acetate Traditional Name: 2-[(5-cyano-3,3-dimethyl-8-morpholino-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-6-yl)thio]acetate Formula: C17H21N3O3S2 MolecularWeight: 379.49694

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=[NH+]C(=C2CS1)N3CCOCC3)SCC(=O)[O-])C#N)C

Isomeric SMILES

CC1(CC2=C(C(=[NH+]C(=C2CS1)N3CCOCC3)SCC(=O)[O-])C#N)C

InChI

InChI=1S/C17H21N3O3S2/c1-17(2)7-11-12(8-18)16(24-10-14(21)22)19-15(13(11)9-25-17)20-3-5-23-6-4-20/h3-7,9-10H2,1-2H3,(H,21,22)