515130-29-7
2H-1,2-THIAZINE-2-ACETIC ACID, ALPHA-[[4-(1,1-DIMETHYLETHOXY)PHENYL]METHYL]-3,6-DIHYDRO-, METHYL ESTER, 1,1-DIOXIDE, (ALPHAS)
Name2H-1,2-THIAZINE-2-ACETIC ACID, ALPHA-[[4-(1,1-DIMETHYLETHOXY)PHENYL]METHYL]-3,6-DIHYDRO-, METHYL ESTER, 1,1-DIOXIDE, (ALPHAS)
1Identification
【Name】
2H-1,2-THIAZINE-2-ACETIC ACID, ALPHA-[[4-(1,1-DIMETHYLETHOXY)PHENYL]METHYL]-3,6-DIHYDRO-, METHYL ESTER, 1,1-DIOXIDE, (ALPHAS)
【CAS】
【MDL】
MFCD08460314
【English Synonyms】
【Formula】
C18 H25 N O5 S
【MolWeight】
367.464
【Inchi】
InChI=1S/C18H25NO5S/c1-18(2,3)24-15-9-7-14(8-10-15)13-16(17(20)23-4)19-11-5-6-12-25(19,21)22/h5-10,16H,11-13H2,1-4H3/t16-/m0/s1
【InChIKey】
InChIKey=SIMZDZKHIFOMNI-INIZCTEOSA-N
【SMILES】
CC(C)(C)Oc1ccc(cc1)C[C@@H](C(=O)OC)N2CC=CCS2(=O)=O
【MOL File】
2H-1,2-THIAZINE-2-AC….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2H-1,2-THIAZINE-2-ACETIC ACID, ALPHA-[[4-(1,1-DIMETHYLETHOXY)PHENYL]METHYL]-3,6-DIHYDRO-, METHYL ESTER, 1,1-DIOXIDE, (ALPHAS).cml