518350-03-3
4-((2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)ME)-2-MEO-PH 4-TERT-BUTYLBENZOATE
Name4-((2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)ME)-2-MEO-PH 4-TERT-BUTYLBENZOATE
1Identification
【Name】
4-((2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)ME)-2-MEO-PH 4-TERT-BUTYLBENZOATE
【CAS】
【MDL】
MFCD05721144
【English Synonyms】
【Formula】
C22 H22 N2 O4 S
【MolWeight】
410.492
【Inchi】
InChI=1S/C22H22N2O4S/c1-22(2,3)15-8-6-14(7-9-15)20(26)28-16-10-5-13(11-17(16)27-4)12-18-19(25)24-21(23)29-18/h5-12H,1-4H3,(H2,23,24,25)/b18-12+
【InChIKey】
InChIKey=CLUMOZVBSZRNOI-LDADJPATSA-N
【SMILES】
CC(C)(C)c1ccc(cc1)C(=O)Oc2ccc(cc2OC)/C=C/3\C(=O)NC(=N)S3
【MOL File】
4-((2-IMINO-4-OXO-1,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-((2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)ME)-2-MEO-PH 4-TERT-BUTYLBENZOATE.cml