Benzoic acid, 4-[2-(phthalazin-1-ylsulfanyl)acetylamino]-, methyl ester

SpectraBase Compound ID	7bROKizOsGi
InChI	InChI=1S/C18H15N3O3S/c1-24-18(23)12-6-8-14(9-7-12)20-16(22)11-25-17-15-5-3-2-4-13(15)10-19-21-17/h2-10H,11H2,1H3,(H,20,22)
InChIKey	MYZAZKVZPXCBDK-UHFFFAOYSA-N Google Search
Mol Weight	353.4 g/mol
Molecular Formula	C18H15N3O3S
Exact Mass	353.083413 g/mol

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SpectraBase Spectrum ID	KMZBXss5g4h
Name	Benzoic acid, 4-[2-(phthalazin-1-ylsulfanyl)acetylamino]-, methyl ester
Alternate Name(s)	4-[[1-oxo-2-(1-phthalazinylthio)ethyl]amino]benzoic acid methyl ester 4-[[2-(phthalazin-1-ylthio)acetyl]amino]benzoic acid methyl ester Methyl 4-(2-phthalazin-1-ylsulfanylethanoylamino)benzoate Methyl 4-[(2-phthalazin-1-ylsulfanylacetyl)amino]benzoate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C18H15N3O3S
InChI	InChI=1S/C18H15N3O3S/c1-24-18(23)12-6-8-14(9-7-12)20-16(22)11-25-17-15-5-3-2-4-13(15)10-19-21-17/h2-10H,11H2,1H3,(H,20,22)
InChIKey	MYZAZKVZPXCBDK-UHFFFAOYSA-N
Molecular Weight	353.396 g/mol
SMILES	N(C(=O)CSc1nncc2c1cccc2)c1ccc(cc1)C(OC)=O
SPLASH	splash10-0udi-3980000000-11ea5da5337cbe88f00b
Source of Spectrum	AD-0-2532-0
Wiley ID	1436137