2-[(2-{[2-Chloro-6-(4-methoxyphenoxy)benzyl]amino}-2-oxoethyl)sulfanyl]acetic acid

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Systematic / IUPAC Name: [(2-{[2-Chloro-6-(4-methoxyphenoxy)benzyl]amino}-2-oxoethyl)sulfanyl]acetic acid

ID: Reference4083

Other Names: 2-{[({[2-Chloro-6-(4-methoxyphenoxy)phenyl]methyl}carbamoyl)methyl]sulfanyl}acetic acid;
Acetic acid, 2-{[2-({[2-chloro-6-(4-methoxyphenoxy)phenyl]methyl}amino)-2-oxoethyl]thio}-

Formula: C18H18ClNO5S

Spectral Data

2-[(2-{[2-Chloro-6-(4-methoxyphenoxy)benzyl]amino}-2-oxoethyl)sulfanyl]acetic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 226
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/7/2016 11:48:21 AM
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Identificators

InChI InChI=1S/C18H18ClNO5S/c1-24-12-5-7-13(8-6-12)25-16-4-2-3-15(19)14(16)9-20-17(21)10-26-11-18(22)23/h2-8H,9-11H2,1H3,(H,20,21)(H,22,23)
InChI Key ODOPZFUCLKIIEF-UHFFFAOYSA-N
Canonical SMILES COC1=CC=C(C=C1)OC2=C(C(=CC=C2)Cl)CNC(=O)CSCC(=O)O
CAS
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Other Names 2-{[({[2-Chloro-6-(4-methoxyphenoxy)phenyl]methyl}carbamoyl)methyl]sulfanyl}acetic acid;
Acetic acid, 2-{[2-({[2-chloro-6-(4-methoxyphenoxy)phenyl]methyl}amino)-2-oxoethyl]thio}-

In Other Databases

ChemSpider 2090732
ChEMBL CHEMBL1883195
PubChem 2812327