5650-85-1
ETHYL 4,5-DIMETHYL-2-[[(E)-(2-OXO-6,7,8,9-TETRAHYDRODIBENZOFURAN-1-YLIDENE)METHYL]AMINO]THIOPHENE-3-CARBOXYLATE
NameETHYL 4,5-DIMETHYL-2-[[(E)-(2-OXO-6,7,8,9-TETRAHYDRODIBENZOFURAN-1-YLIDENE)METHYL]AMINO]THIOPHENE-3-CARBOXYLATE
1Identification
【Name】
ETHYL 4,5-DIMETHYL-2-[[(E)-(2-OXO-6,7,8,9-TETRAHYDRODIBENZOFURAN-1-YLIDENE)METHYL]AMINO]THIOPHENE-3-CARBOXYLATE
【CAS】
【MDL】
MFCD19705256
【English Synonyms】
【Formula】
C22 H23 N O4 S
【MolWeight】
397.493
【Inchi】
InChI=1S/C22H23NO4S/c1-4-26-22(25)19-12(2)13(3)28-21(19)23-11-15-16(24)9-10-18-20(15)14-7-5-6-8-17(14)27-18/h9-11,23H,4-8H2,1-3H3/b15-11-
【InChIKey】
InChIKey=NDGKVWKHOHBGTK-PTNGSMBKSA-N
【SMILES】
CCOC(=O)c1c(c(sc1N/C=C/2\c3c4c(oc3C=CC2=O)CCCC4)C)C
【MOL File】
ETHYL 4,5-DIMETHYL-2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 4,5-DIMETHYL-2-[[(E)-(2-OXO-6,7,8,9-TETRAHYDRODIBENZOFURAN-1-YLIDENE)METHYL]AMINO]THIOPHENE-3-CARBOXYLATE.cml