55952-71-1
ACETIC ACID, [3-[[5-CHLORO-3-ETHYL-2(3H)-BENZOTHIAZOLYLIDENE]METHYL]-2-CYCLOHEXEN-1-YLIDENE]CYANO-, ETHYL ESTER
Name
ACETIC ACID, [3-[[5-CHLORO-3-ETHYL-2(3H)-BENZOTHIAZOLYLIDENE]METHYL]-2-CYCLOHEXEN-1-YLIDENE]CYANO-, ETHYL ESTER
Formula
C21 H21 Cl N2 O2 S
MolWeight
400.928
1Identification
【Name】
ACETIC ACID, [3-[[5-CHLORO-3-ETHYL-2(3H)-BENZOTHIAZOLYLIDENE]METHYL]-2-CYCLOHEXEN-1-YLIDENE]CYANO-, ETHYL ESTER
【CAS】
【MDL】
MFCD06409548
【English Synonyms】
【Formula】
C21 H21 Cl N2 O2 S
【MolWeight】
400.928
【Inchi】
InChI=1S/C21H21ClN2O2S/c1-3-24-18-12-16(22)8-9-19(18)27-20(24)11-14-6-5-7-15(10-14)17(13-23)21(25)26-4-2/h8-12H,3-7H2,1-2H3/b17-15-,20-11-
【InChIKey】
InChIKey=NEDYJWOSLKGDJL-HXYWDIAQSA-N
【SMILES】
CCN\1c2cc(ccc2S/C1=C\C3=C/C(=C(/C#N)\C(=O)OCC)/CCC3)Cl
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:6.0
Bulk/Fine:F