Ethyl 6-methyl-2-[(4-toluidinocarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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Systematic / IUPAC Name: Ethyl 6-methyl-2-{[(4-methylphenyl)carbamoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

ID: Reference4489

Other Names: Benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-({[(4-methylphenyl)amino]carbonyl}amino)-, ethyl ester

Formula: C20H24N2O3S

Spectral Data

Ethyl 6-methyl-2-[(4-toluidinocarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate 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 234
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 4/11/2016 7:19:16 AM
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Identificators

InChI InChI=1S/C20H24N2O3S/c1-4-25-19(23)17-15-10-7-13(3)11-16(15)26-18(17)22-20(24)21-14-8-5-12(2)6-9-14/h5-6,8-9,13H,4,7,10-11H2,1-3H3,(H2,21,22,24)
InChI Key VHQBOMFTTURNQM-UHFFFAOYSA-N
Canonical SMILES CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)NC3=CC=C(C=C3)C
CAS
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Other Names Benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-({[(4-methylphenyl)amino]carbonyl}amino)-, ethyl ester

In Other Databases

ChemSpider 2092192
PubChem 2813794