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4H-Pyrane-3-carboxylic acid, 6-amino-5-cyano-2-methyl-4-(2-thienyl)-, benzyl ester
SpectraBase Compound ID AkkTjZx4RhJ
InChI InChI=1S/C19H16N2O3S/c1-12-16(19(22)23-11-13-6-3-2-4-7-13)17(15-8-5-9-25-15)14(10-20)18(21)24-12/h2-9,17H,11,21H2,1H3
InChIKey HTFUQCBXSXHNBW-UHFFFAOYSA-N
Mol Weight 352.41 g/mol
Molecular Formula C19H16N2O3S
Exact Mass 352.088164 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2nMQYiqsj1Y
Name Benzyl 6-amino-5-cyano-2-methyl-4-(2-thienyl)-4H-pyran-3-carboxylate
CAS Registry Number 327068-32-6
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16N2O3S
InChI InChI=1S/C19H16N2O3S/c1-12-16(19(22)23-11-13-6-3-2-4-7-13)17(15-8-5-9-25-15)14(10-20)18(21)24-12/h2-9,17H,11,21H2,1H3
InChIKey HTFUQCBXSXHNBW-UHFFFAOYSA-N
Molecular Weight 352.408 g/mol
SMILES NC=1OC(=C(C(C1C#N)c1cccs1)C(OCc1ccccc1)=O)C
SPLASH splash10-0006-9230000000-2c65fa947b4e03081c12
Source of Spectrum AD-0-2532-0
Synonyms (phenylmethyl) 6-azanyl-5-cyano-2-methyl-4-thiophen-2-yl-4H-pyran-3-carboxylate 4H-Pyrane-3-carboxylic acid, 6-amino-5-cyano-2-methyl-4-(2-thienyl)-, benzyl ester 6-Amino-5-cyano-2-methyl-4-(2-thienyl)-4H-pyran-3-carboxylic acid benzyl ester 6-Amino-5-cyano-2-methyl-4-thiophen-2-yl-4H-pyran-3-carboxylic acid (phenylmethyl) ester benzyl 6-amino-5-cyano-2-methyl-4-thiophen-2-yl-4H-pyran-3-carboxylate
Wiley ID 1426352