2-[[5-[(4-chloroanilino)-oxomethyl]-3-cyano-4-(2-furanyl)-6-methyl-1,4-dihydropyridin-2-yl]thio]acetic acid ethyl ester

SpectraBase Compound ID	wdGIfyvSXF
InChI	InChI=1S/C22H20ClN3O4S/c1-3-29-18(27)12-31-22-16(11-24)20(17-5-4-10-30-17)19(13(2)25-22)21(28)26-15-8-6-14(23)7-9-15/h4-10,20,25H,3,12H2,1-2H3,(H,26,28)
InChIKey	KTHGUQAEBHWZKK-UHFFFAOYSA-N Google Search
Mol Weight	457.93 g/mol
Molecular Formula	C22H20ClN3O4S
Exact Mass	457.086305 g/mol

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SpectraBase Spectrum ID	b44fOQKSnG
Name	2-[[5-[(4-chloroanilino)-oxomethyl]-3-cyano-4-(2-furanyl)-6-methyl-1,4-dihydropyridin-2-yl]thio]acetic acid ethyl ester
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H20ClN3O4S
InChI	InChI=1S/C22H20ClN3O4S/c1-3-29-18(27)12-31-22-16(11-24)20(17-5-4-10-30-17)19(13(2)25-22)21(28)26-15-8-6-14(23)7-9-15/h4-10,20,25H,3,12H2,1-2H3,(H,26,28)
InChIKey	KTHGUQAEBHWZKK-UHFFFAOYSA-N
Molecular Weight	457.932 g/mol
SMILES	N1C(=C(C(Nc2ccc(cc2)Cl)=O)C(C(C#N)=C1SCC(=O)OCC)c1occc1)C
SPLASH	splash10-0pe9-3789000000-64fa7f1e14d652fa7ffc
Synonyms	2-[[5-[(4-chlorophenyl)carbamoyl]-3-cyano-4-(2-furyl)-6-methyl-1,4-dihydropyridin-2-yl]thio]acetic acid ethyl ester Ethyl 2-[[5-[(4-chlorophenyl)carbamoyl]-3-cyano-4-(2-furyl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]acetate Ethyl 2-[[5-[(4-chlorophenyl)carbamoyl]-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]acetate Ethyl 2-[[5-[(4-chlorophenyl)carbamoyl]-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]ethanoate
Wiley ID	1455024