3-(2-Chloroanilino)-2-{[3-(methylthio)-6,7-dihydrobenzo[c]thiophen-1-yl]carbonyl}acrylonitrile

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Systematic / IUPAC Name: (2E)-3-[(2-Chlorophenyl)amino]-2-{[3-(methylsulfanyl)-6,7-dihydro-2-benzothiophen-1-yl]carbonyl}acrylonitrile

ID: Reference7042

Other Names: (E)-3-(2-Chloroanilino)-2-(3-methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carbonyl)prop-2-enenitrile;
Benzo[c]thiophene-1-propanenitrile, α-{[(2-chlorophenyl)amino]methylene}-6,7-dihydro-3-(methylthio)-β-oxo-, (αE)-

Formula: C19H15ClN2OS2

Spectral Data

3-(2-Chloroanilino)-2-{[3-(methylthio)-6,7-dihydrobenzo[c]thiophen-1-yl]carbonyl}acrylonitrile 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 250
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/21/2017 12:44:16 PM
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Identificators

InChI InChI=1S/C19H15ClN2OS2/c1-24-19-14-7-3-2-6-13(14)18(25-19)17(23)12(10-21)11-22-16-9-5-4-8-15(16)20/h3-5,7-9,11,22H,2,6H2,1H3/b12-11+
InChI Key HIPRDDNGUCKRPG-VAWYXSNFSA-N
Canonical SMILES CSC1=C2C=CCCC2=C(S1)C(=O)C(=CNC3=CC=CC=C3Cl)C#N
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Other Names (E)-3-(2-Chloroanilino)-2-(3-methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carbonyl)prop-2-enenitrile;
Benzo[c]thiophene-1-propanenitrile, α-{[(2-chlorophenyl)amino]methylene}-6,7-dihydro-3-(methylthio)-β-oxo-, (αE)-

In Other Databases

ChemSpider 2099121
PubChem 2820893