40713-46-0
2-[[(4-HYDROXY-2-METHYL-1,1-DIOXIDO-2H-1,2-BENZOTHIAZIN-3-YL)CARBONYL]AMINO]-BENZOIC ACID METHYL ESTER
Name2-[[(4-HYDROXY-2-METHYL-1,1-DIOXIDO-2H-1,2-BENZOTHIAZIN-3-YL)CARBONYL]AMINO]-BENZOIC ACID METHYL ESTER
1Identification
【Name】
2-[[(4-HYDROXY-2-METHYL-1,1-DIOXIDO-2H-1,2-BENZOTHIAZIN-3-YL)CARBONYL]AMINO]-BENZOIC ACID METHYL ESTER
【CAS】
【MDL】
MFCD17015539
【English Synonyms】
【Formula】
C18 H16 N2 O6 S
【MolWeight】
388.398
【Inchi】
InChI=1S/C18H16N2O6S/c1-20-15(16(21)12-8-4-6-10-14(12)27(20,24)25)17(22)19-13-9-5-3-7-11(13)18(23)26-2/h3-10,21H,1-2H3,(H,19,22)
【InChIKey】
InChIKey=TVBYGLZNYRZIJD-UHFFFAOYSA-N
【SMILES】
CN1C(=C(c2ccccc2S1(=O)=O)O)C(=O)Nc3ccccc3C(=O)OC
【MOL File】
2-[[(4-HYDROXY-2-MET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[[(4-HYDROXY-2-METHYL-1,1-DIOXIDO-2H-1,2-BENZOTHIAZIN-3-YL)CARBONYL]AMINO]-BENZOIC ACID METHYL ESTER.cml