Benzeneacetic acid, .alpha.-[(phenylthioxomethyl)amino]-.alpha.-2-propenyl-, methyl ester

SpectraBase Compound ID	J1x5l7CQl3d
InChI	InChI=1S/C19H19NO2S/c1-3-14-19(18(21)22-2,16-12-8-5-9-13-16)20-17(23)15-10-6-4-7-11-15/h3-13H,1,14H2,2H3,(H,20,23)
InChIKey	IQKRMQQPQGWPGC-UHFFFAOYSA-N Google Search
Mol Weight	325.43 g/mol
Molecular Formula	C19H19NO2S
Exact Mass	325.11365 g/mol

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SpectraBase Spectrum ID	K1KZy4cawAG
Name	Benzeneacetic acid, .alpha.-[(phenylthioxomethyl)amino]-.alpha.-2-propenyl-, methyl ester
Alternate Name(s)	Methyl 2-(benzothioylamino)-2-phenyl-4-pentenoate Methyl 2-phenyl-2-(thiobenzamido)pent-4-enoate
CAS Registry Number	127243-86-1
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C19H19NO2S
InChI	InChI=1S/C19H19NO2S/c1-3-14-19(18(21)22-2,16-12-8-5-9-13-16)20-17(23)15-10-6-4-7-11-15/h3-13H,1,14H2,2H3,(H,20,23)
InChIKey	IQKRMQQPQGWPGC-UHFFFAOYSA-N
Molecular Weight	325.426 g/mol
SMILES	N(C(C(=O)OC)(c1ccccc1)CC=C)C(=S)c1ccccc1
SPLASH	splash10-0fi0-3920000000-bdea3531cfb64df55670
Source of Spectrum	H-72-1646-13
Wiley ID	1324009