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

SpectraBase Compound ID	7f2I2WcukIS
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)
InChIKey	HAPUODIFLHGIQO-UHFFFAOYSA-N Google Search
Mol Weight	379.49 g/mol
Molecular Formula	C17H21N3O3S2
Exact Mass	379.102434 g/mol

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SpectraBase Spectrum ID	2voMQkFKbAc
Name	2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydrothiopyrano[3,4-c]pyridin-6-yl)sulfanyl]acetic acid
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C17H21N3O3S2
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)
InChIKey	HAPUODIFLHGIQO-UHFFFAOYSA-N
Molecular Weight	379.493 g/mol
SMILES	OC(CSc1c(C#N)c2c(c(n1)N1CCOCC1)CSC(C)(C)C2)=O
SPLASH	splash10-00di-9637000000-ec06fa8f14d08d15d679
Synonyms	2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydrothiopyrano[3,4-c]pyridin-6-yl)sulfanyl]ethanoic acid 2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-6-yl)sulfanyl]acetate 2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-6-yl)sulfanyl]ethanoate 2-[(5-cyano-3,3-dimethyl-8-morpholino-1,4-dihydrothiopyrano[3,4-c]pyridin-6-yl)sulfanyl]acetic acid 2-[(5-cyano-3,3-dimethyl-8-morpholino-1,4-dihydrothiopyrano[3,4-c]pyridin-6-yl)thio]acetic acid 2-[(5-cyano-3,3-dimethyl-8-morpholino-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-6-yl)sulfanyl]acetate 2-[(5-cyano-3,3-dimethyl-8-morpholino-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-6-yl)thio]acetate 2-[[5-cyano-3,3-dimethyl-8-(4-morpholinyl)-1,4-dihydrothiopyrano[3,4-c]pyridin-6-yl]thio]acetic acid 2-[[5-cyano-3,3-dimethyl-8-(4-morpholinyl)-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-6-yl]thio]acetate
Wiley ID	1453606