2-(3,4,5-Trimethoxyphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-4-thione

enlarge

Systematic / IUPAC Name: 2-(3,4,5-Trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepine-4(5H)-thione

ID: Reference4216

Other Names: 1,5-Benzothiazepine-4(5H)-thione, 2,3-dihydro-2-(3,4,5-trimethoxyphenyl)-

Formula: C18H19NO3S2

Spectral Data

2-(3,4,5-Trimethoxyphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-4-thione mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 118
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/16/2016 8:26:19 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C18H19NO3S2/c1-20-13-8-11(9-14(21-2)18(13)22-3)16-10-17(23)19-12-6-4-5-7-15(12)24-16/h4-9,16H,10H2,1-3H3,(H,19,23)
InChI Key AQVAELSZCPJIBO-UHFFFAOYSA-N
Canonical SMILES COC1=CC(=CC(=C1OC)OC)C2CC(=S)NC3=CC=CC=C3S2
CAS
Splash
Other Names 1,5-Benzothiazepine-4(5H)-thione, 2,3-dihydro-2-(3,4,5-trimethoxyphenyl)-

In Other Databases

ChemSpider 2010643
PubChem 2728653