(E)-3-[(3,3'-BITHIOPHEN)-5-YLMETHOXY]-N-(6,6-DIMETHYL-2-HEPTEN-4-YNYL)-N-ETHYLBENZYLAMINE

CAS No.
131060-14-5
CCD No.
CCD00179446
Formula
C27 H31 N O S2
MolWeight
449.68

Basic Information

Product Name: (E)-3-[(3,3'-BITHIOPHEN)-5-YLMETHOXY]-N-(6,6-DIMETHYL-2-HEPTEN-4-YNYL)-N-ETHYLBENZYLAMINE
CAS: 131060-14-5
English Synonyms: (E)-3-[(3,3'-BITHIOPHEN)-5-YLMETHOXY]-N-(6,6-DIMETHYL-2-HEPTEN-4-YNYL)-N-ETHYLBENZYLAMINE ; NB-598
MDL Number.: MFCD00898838
H bond acceptor: 2
H bond donor: 0
Smile: CCN(C/C=C/C#CC(C)(C)C)Cc1cccc(c1)OCc2cc(cs2)c3ccsc3
InChi: InChI=1S/C27H31NOS2/c1-5-28(14-8-6-7-13-27(2,3)4)18-22-10-9-11-25(16-22)29-19-26-17-24(21-31-26)23-12-15-30-20-23/h6,8-12,15-17,20-21H,5,14,18-19H2,1-4H3/b8-6+
InChiKey: InChIKey=KIRGLCXNEVICOG-SOFGYWHQSA-N

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