2-({2-[Benzyl(2-thienylmethyl)amino]-2-oxoethyl}thio)acetic acid

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Systematic / IUPAC Name: ({2-[Benzyl(2-thienylmethyl)amino]-2-oxoethyl}sulfanyl)acetic acid

ID: Reference6827

Other Names: Acetic acid, 2-({2-oxo-2-[(phenylmethyl)(2-thienylmethyl)amino]ethyl}thio)-

Formula: C16H17NO3S2

Spectral Data

2-({2-[Benzyl(2-thienylmethyl)amino]-2-oxoethyl}thio)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 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 9/18/2017 7:38:29 AM
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Identificators

InChI InChI=1S/C16H17NO3S2/c18-15(11-21-12-16(19)20)17(10-14-7-4-8-22-14)9-13-5-2-1-3-6-13/h1-8H,9-12H2,(H,19,20)
InChI Key NZMULVJRNOWOJO-UHFFFAOYSA-N
Canonical SMILES C1=CC=C(C=C1)CN(CC2=CC=CS2)C(=O)CSCC(=O)O
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Other Names Acetic acid, 2-({2-oxo-2-[(phenylmethyl)(2-thienylmethyl)amino]ethyl}thio)-

In Other Databases

PubChem 2740357
ChemSpider 2021951