For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-[[5-[(4-chloroanilino)-oxomethyl]-3-cyano-4-(2-furanyl)-6-methyl-1,4-dihydropyridin-2-yl]thio]acetic acid methyl ester
SpectraBase Compound ID 8XjZ06VTPez
InChI InChI=1S/C21H18ClN3O4S/c1-12-18(20(27)25-14-7-5-13(22)6-8-14)19(16-4-3-9-29-16)15(10-23)21(24-12)30-11-17(26)28-2/h3-9,19,24H,11H2,1-2H3,(H,25,27)
InChIKey DZSJGFAOXXPURB-UHFFFAOYSA-N
Mol Weight 443.91 g/mol
Molecular Formula C21H18ClN3O4S
Exact Mass 443.070655 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Ih0neam8Zwd
Name 2-[[5-[(4-chloroanilino)-oxomethyl]-3-cyano-4-(2-furanyl)-6-methyl-1,4-dihydropyridin-2-yl]thio]acetic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18ClN3O4S
InChI InChI=1S/C21H18ClN3O4S/c1-12-18(20(27)25-14-7-5-13(22)6-8-14)19(16-4-3-9-29-16)15(10-23)21(24-12)30-11-17(26)28-2/h3-9,19,24H,11H2,1-2H3,(H,25,27)
InChIKey DZSJGFAOXXPURB-UHFFFAOYSA-N
Molecular Weight 443.905 g/mol
SMILES N1C(=C(C(Nc2ccc(cc2)Cl)=O)C(C(C#N)=C1SCC(=O)OC)c1occc1)C
SPLASH splash10-0ar0-3794000000-ee2c8429341c67890dd9
Synonyms 2-[[5-[(4-chlorophenyl)carbamoyl]-3-cyano-4-(2-furyl)-6-methyl-1,4-dihydropyridin-2-yl]thio]acetic acid methyl ester Methyl 2-[[5-[(4-chlorophenyl)carbamoyl]-3-cyano-4-(2-furyl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]acetate Methyl 2-[[5-[(4-chlorophenyl)carbamoyl]-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]acetate Methyl 2-[[5-[(4-chlorophenyl)carbamoyl]-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]ethanoate
Wiley ID 1455029