55952-69-7
ACETIC ACID, CYANO[3-[[3-ETHYL-2(3H)-BENZOTHIAZOLYLIDENE]METHYL]-2-CYCLOHEXEN-1-YLIDENE]-, ETHYL ESTER
Name
ACETIC ACID, CYANO[3-[[3-ETHYL-2(3H)-BENZOTHIAZOLYLIDENE]METHYL]-2-CYCLOHEXEN-1-YLIDENE]-, ETHYL ESTER
Formula
C21 H22 N2 O2 S
MolWeight
366.483
1Identification
【Name】
ACETIC ACID, CYANO[3-[[3-ETHYL-2(3H)-BENZOTHIAZOLYLIDENE]METHYL]-2-CYCLOHEXEN-1-YLIDENE]-, ETHYL ESTER
【CAS】
【MDL】
MFCD06409544
【English Synonyms】
【Formula】
C21 H22 N2 O2 S
【MolWeight】
366.483
【Inchi】
InChI=1S/C21H22N2O2S/c1-3-23-18-10-5-6-11-19(18)26-20(23)13-15-8-7-9-16(12-15)17(14-22)21(24)25-4-2/h5-6,10-13H,3-4,7-9H2,1-2H3/b17-16-,20-13-
【InChIKey】
InChIKey=KXGCKPUNMSDUSM-FVCYYYLCSA-N
【SMILES】
CCN\1c2ccccc2S/C1=C\C3=C/C(=C(/C#N)\C(=O)OCC)/CCC3
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ACETIC ACID, CYANO[3-[[3-ETHYL-2(3H)-BENZOTHIAZOLYLIDENE]METHYL]-2-CYCLOHEXEN-1-YLIDENE]-, ETHYL ESTER.cml
Quick Release
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