Benzenepropanoic acid, .alpha.-[(aminocarbonyl)thio]-.beta.-chloro-, ethyl ester

SpectraBase Compound ID	DSgeUJFTTIo
InChI	InChI=1S/C12H14ClNO3S/c1-2-17-11(15)10(18-12(14)16)9(13)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3,(H2,14,16)
InChIKey	AFAFXRMDLQKXRC-UHFFFAOYSA-N Google Search
Mol Weight	287.76 g/mol
Molecular Formula	C12H14ClNO3S
Exact Mass	287.038292 g/mol

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SpectraBase Spectrum ID	DZr8IcVl5uw
Name	Benzenepropanoic acid, .alpha.-[(aminocarbonyl)thio]-.beta.-chloro-, ethyl ester
CAS Registry Number	37073-56-6
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C12H14ClNO3S
InChI	InChI=1S/C12H14ClNO3S/c1-2-17-11(15)10(18-12(14)16)9(13)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3,(H2,14,16)
InChIKey	AFAFXRMDLQKXRC-UHFFFAOYSA-N
Molecular Weight	287.761 g/mol
SMILES	NC(=O)SC(C(c1ccccc1)Cl)C(=O)OCC
SPLASH	splash10-004i-2930000000-6e266c4fa6c871da5ca1
Source of Spectrum	AJ-45-1509-6
Synonyms	Ethyl 2-[(aminocarbonyl)sulfanyl]-3-chloro-3-phenylpropanoate 2-(carbamoylthio)-3-chloro-3-phenyl-propionic acid ethyl ester 2-(carbamoylthio)-3-chloro-3-phenylpropanoic acid ethyl ester Ethyl 2-aminocarbonylsulfanyl-3-chloranyl-3-phenyl-propanoate Ethyl 2-carbamoylsulfanyl-3-chloro-3-phenyl-propanoate
Wiley ID	1290615