497230-56-5
ETHYL 6-AMINO-2-(((6-(TERT-BUTYL)-3-CYANO-4-(4-METHOXYPHENYL)-5,6,7,8-TETRAHYDRO-2-QUINOLINYL)SULFANYL)METHYL)-5-CYANO-4-(2-THIENYL)-4H-PYRAN-3-CARBOXYLATE
NameETHYL 6-AMINO-2-(((6-(TERT-BUTYL)-3-CYANO-4-(4-METHOXYPHENYL)-5,6,7,8-TETRAHYDRO-2-QUINOLINYL)SULFANYL)METHYL)-5-CYANO-4-(2-THIENYL)-4H-PYRAN-3-CARBOXYLATE
pro_formulaC35 H36 N4 O4 S2
1Identification
【Name】
ETHYL 6-AMINO-2-(((6-(TERT-BUTYL)-3-CYANO-4-(4-METHOXYPHENYL)-5,6,7,8-TETRAHYDRO-2-QUINOLINYL)SULFANYL)METHYL)-5-CYANO-4-(2-THIENYL)-4H-PYRAN-3-CARBOXYLATE
【CAS】
【MDL】
MFCD03300615
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C35 H36 N4 O4 S2
【pro_molWeight】
640.825
【Inchi】
InChI=1S/C35H36N4O4S2/c1-6-42-34(40)31-27(43-32(38)24(17-36)30(31)28-8-7-15-44-28)19-45-33-25(18-37)29(20-9-12-22(41-5)13-10-20)23-16-21(35(2,3)4)11-14-26(23)39-33/h7-10,12-13,15,21,30H,6,11,14,16,19,38H2,1-5H3
【InChIKey】
InChIKey=AZHVWPFKQBNSIF-UHFFFAOYSA-N
【SMILES】
CCOC(=O)C1=C(OC(=C(C1c2cccs2)C#N)N)CSc3c(c(c4c(n3)CCC(C4)C(C)(C)C)c5ccc(cc5)OC)C#N
【MOL File】
ETHYL 6-AMINO-2-(((6….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:8
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
ETHYL 6-AMINO-2-(((6-(TERT-BUTYL)-3-CYANO-4-(4-METHOXYPHENYL)-5,6,7,8-TETRAHYDRO-2-QUINOLINYL)SULFANYL)METHYL)-5-CYANO-4-(2-THIENYL)-4H-PYRAN-3-CARBOXYLATE.cml