CHEBI:107130 - 4-[5-(2-phenylethyl)-2-sulfanylidene-1,3,5-triazinan-1-yl]benzoic acid ethyl ester

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ChEBI Name 4-[5-(2-phenylethyl)-2-sulfanylidene-1,3,5-triazinan-1-yl]benzoic acid ethyl ester
ChEBI ID CHEBI:107130
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H23N3O2S
Net Charge 0
Average Mass 369.482
Monoisotopic Mass 369.15110
InChI InChI=1S/C20H23N3O2S/c1-2-25-19(24)17-8-10-18(11-9-17)23-15-22(14-21-20(23)26)13-12-16-6-4-3-5-7-16/h3-11H,2,12-15H2,1H3,(H,21,26)
InChIKey BIHPEXBRJDRAAX-UHFFFAOYSA-N
SMILES CCOC(=O)C1=CC=C(C=C1)N2CN(CNC2=S)CCC3=CC=CC=C3
ChEBI Ontology
Outgoing 4-[5-(2-phenylethyl)-2-sulfanylidene-1,3,5-triazinan-1-yl]benzoic acid ethyl ester (CHEBI:107130) is a benzoate ester (CHEBI:36054)
Manual Xref Database
LSM-18484 LINCS
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