4-Hydroxy-3-methoxy-5-[(3-carboxypropyl)thiomethyl]-.alpha.-carboxamidocinnamonitrile

SpectraBase Compound ID	7sb2uWyscm2
InChI	InChI=1S/C16H18N2O5S/c1-23-13-7-10(5-11(8-17)16(18)22)6-12(15(13)21)9-24-4-2-3-14(19)20/h5-7,21H,2-4,9H2,1H3,(H2,18,22)(H,19,20)/b11-5-
InChIKey	IOIKLYGLEHRULX-WZUFQYTHSA-N Google Search
Mol Weight	350.39 g/mol
Molecular Formula	C16H18N2O5S
Exact Mass	350.093643 g/mol

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SpectraBase Spectrum ID	ALjbAqjS6n9
Name	4-Hydroxy-3-methoxy-5-[(3-carboxypropyl)thiomethyl]-.alpha.-carboxamidocinnamonitrile
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C16H18N2O5S
InChI	InChI=1S/C16H18N2O5S/c1-23-13-7-10(5-11(8-17)16(18)22)6-12(15(13)21)9-24-4-2-3-14(19)20/h5-7,21H,2-4,9H2,1H3,(H2,18,22)(H,19,20)/b11-5-
InChIKey	IOIKLYGLEHRULX-WZUFQYTHSA-N
Molecular Weight	350.389 g/mol
SMILES	OC(CCCSCc1cc(cc(c1O)OC)\C=C/(C(=O)N)C#N)=O
SPLASH	splash10-001i-0490000000-c78295801e1425bf0c26
Source of Spectrum	E1-36-3561-19
Synonyms	4-({5-[(1Z)-3-amino-2-cyano-3-oxo-1-propenyl]-2-hydroxy-3-methoxybenzyl}sulfanyl)butanoic acid
Wiley ID	1574790