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2-[[5-[(4-chloroanilino)-oxomethyl]-3-cyano-4-(2-furanyl)-6-methyl-1,4-dihydropyridin-2-yl]thio]acetic acid butyl ester
SpectraBase Compound ID 9d0aboBSxuK
InChI InChI=1S/C24H24ClN3O4S/c1-3-4-11-32-20(29)14-33-24-18(13-26)22(19-6-5-12-31-19)21(15(2)27-24)23(30)28-17-9-7-16(25)8-10-17/h5-10,12,22,27H,3-4,11,14H2,1-2H3,(H,28,30)
InChIKey OVDQHSWHJXLJHR-UHFFFAOYSA-N
Mol Weight 485.99 g/mol
Molecular Formula C24H24ClN3O4S
Exact Mass 485.117605 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ydM1fU9YCS
Name 2-[[5-[(4-chloroanilino)-oxomethyl]-3-cyano-4-(2-furanyl)-6-methyl-1,4-dihydropyridin-2-yl]thio]acetic acid butyl ester
Alternate Name(s) 2-[[5-[(4-chlorophenyl)carbamoyl]-3-cyano-4-(2-furyl)-6-methyl-1,4-dihydropyridin-2-yl]thio]acetic acid butyl ester Butyl 2-[[5-[(4-chlorophenyl)carbamoyl]-3-cyano-4-(2-furyl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]acetate Butyl 2-[[5-[(4-chlorophenyl)carbamoyl]-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]acetate Butyl 2-[[5-[(4-chlorophenyl)carbamoyl]-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]ethanoate
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Formula C24H24ClN3O4S
InChI InChI=1S/C24H24ClN3O4S/c1-3-4-11-32-20(29)14-33-24-18(13-26)22(19-6-5-12-31-19)21(15(2)27-24)23(30)28-17-9-7-16(25)8-10-17/h5-10,12,22,27H,3-4,11,14H2,1-2H3,(H,28,30)
InChIKey OVDQHSWHJXLJHR-UHFFFAOYSA-N
Molecular Weight 485.986 g/mol
SMILES N1C(=C(C(Nc2ccc(cc2)Cl)=O)C(C(C#N)=C1SCC(=O)OCCCC)c1occc1)C
SPLASH splash10-0a4i-5977000000-3e4ca12188ac12076452
Wiley ID 1455018