2-[[3-cyano-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio]acetic acid isopropyl ester

SpectraBase Compound ID	BugJa7F9OxK
InChI	InChI=1S/C22H24N2O3S/c1-14(2)27-20(25)13-28-22-18(12-23)21(15-8-10-16(26-3)11-9-15)17-6-4-5-7-19(17)24-22/h8-11,14H,4-7,13H2,1-3H3
InChIKey	VIRUVEDTTXYRFX-UHFFFAOYSA-N Google Search
Mol Weight	396.51 g/mol
Molecular Formula	C22H24N2O3S
Exact Mass	396.150764 g/mol

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SpectraBase Spectrum ID	D1e4dO2otPW
Name	2-[[3-cyano-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio]acetic acid isopropyl ester
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H24N2O3S
InChI	InChI=1S/C22H24N2O3S/c1-14(2)27-20(25)13-28-22-18(12-23)21(15-8-10-16(26-3)11-9-15)17-6-4-5-7-19(17)24-22/h8-11,14H,4-7,13H2,1-3H3
InChIKey	VIRUVEDTTXYRFX-UHFFFAOYSA-N
Molecular Weight	396.505 g/mol
SMILES	c1(c(nc2c(c1-c1ccc(cc1)OC)CCCC2)SCC(=O)OC(C)C)C#N
SPLASH	splash10-0a4l-6669000000-d1d77be62e4601b9b4c6
Synonyms	2-[[3-cyano-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio]acetic acid propan-2-yl ester isopropyl 2-[[3-cyano-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetate Propan-2-yl 2-[[3-cyano-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetate Propan-2-yl 2-[[3-cyano-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]ethanoate
Wiley ID	1465513