515130-25-3
2H-1,2-THIAZINE-2-ACETIC ACID, 3,6-DIHYDRO-ALPHA-(PHENYLMETHYL)-, METHYL ESTER, 1,1-DIOXIDE, (ALPHAS)
Name2H-1,2-THIAZINE-2-ACETIC ACID, 3,6-DIHYDRO-ALPHA-(PHENYLMETHYL)-, METHYL ESTER, 1,1-DIOXIDE, (ALPHAS)
pro_formulaC14 H17 N O4 S
1Identification
【Name】
2H-1,2-THIAZINE-2-ACETIC ACID, 3,6-DIHYDRO-ALPHA-(PHENYLMETHYL)-, METHYL ESTER, 1,1-DIOXIDE, (ALPHAS)
【CAS】
【MDL】
MFCD08460309
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C14 H17 N O4 S
【pro_molWeight】
295.357
【Inchi】
InChI=1S/C14H17NO4S/c1-19-14(16)13(11-12-7-3-2-4-8-12)15-9-5-6-10-20(15,17)18/h2-8,13H,9-11H2,1H3/t13-/m0/s1
【InChIKey】
InChIKey=XMPRJFQRCINTLA-ZDUSSCGKSA-N
【SMILES】
COC(=O)[C@H](Cc1ccccc1)N2CC=CCS2(=O)=O
【MOL File】
2H-1,2-THIAZINE-2-AC….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:5
XLogP3:1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2H-1,2-THIAZINE-2-ACETIC ACID, 3,6-DIHYDRO-ALPHA-(PHENYLMETHYL)-, METHYL ESTER, 1,1-DIOXIDE, (ALPHAS).cml