5919-29-9
ETHYL 2-(ACETYLAMINO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
NameETHYL 2-(ACETYLAMINO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
pro_formulaC13 H17 N O3 S
1Identification
【Name】
ETHYL 2-(ACETYLAMINO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
【CAS】
【MDL】
MFCD00087275
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C13 H17 N O3 S
【pro_molWeight】
267.347
【Inchi】
InChI=1S/C13H17NO3S/c1-3-17-13(16)11-9-6-4-5-7-10(9)18-12(11)14-8(2)15/h3-7H2,1-2H3,(H,14,15)
【InChIKey】
InChIKey=MYGDFSFTVVUJHF-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c2c(sc1NC(=O)C)CCCC2
【MOL File】
ETHYL 2-(ACETYLAMINO….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:4
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
ETHYL 2-(ACETYLAMINO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE.cml