56001-97-9
ACETIC ACID, CYANO[3-[(3-ETHYL-6-METHOXY-2(3H)-BENZOTHIAZOLYLIDENE)METHYL]-2-CYCLOHEXEN-1-YLIDENE]-, ETHYL ESTER
Name
ACETIC ACID, CYANO[3-[(3-ETHYL-6-METHOXY-2(3H)-BENZOTHIAZOLYLIDENE)METHYL]-2-CYCLOHEXEN-1-YLIDENE]-, ETHYL ESTER
Formula
C22 H24 N2 O3 S
MolWeight
396.509
1Identification
【Name】
ACETIC ACID, CYANO[3-[(3-ETHYL-6-METHOXY-2(3H)-BENZOTHIAZOLYLIDENE)METHYL]-2-CYCLOHEXEN-1-YLIDENE]-, ETHYL ESTER
【CAS】
【MDL】
MFCD06409549
【English Synonyms】
【Formula】
C22 H24 N2 O3 S
【MolWeight】
396.509
【Inchi】
InChI=1S/C22H24N2O3S/c1-4-24-19-10-9-17(26-3)13-20(19)28-21(24)12-15-7-6-8-16(11-15)18(14-23)22(25)27-5-2/h9-13H,4-8H2,1-3H3/b18-16-,21-12-
【InChIKey】
InChIKey=UNCNFZXPLQAZQS-HFHFKWKOSA-N
【SMILES】
CCN\1c2ccc(cc2S/C1=C\C3=C/C(=C(/C#N)\C(=O)OCC)/CCC3)OC
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:6.0
Bulk/Fine:F