518350-08-8
4-((2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL)PHENYL 4-TERT-BUTYLBENZOATE
Name4-((2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL)PHENYL 4-TERT-BUTYLBENZOATE
1Identification
【Name】
4-((2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL)PHENYL 4-TERT-BUTYLBENZOATE
【CAS】
【MDL】
MFCD05721147
【English Synonyms】
【Formula】
C21 H20 N2 O3 S
【MolWeight】
380.466
【Inchi】
InChI=1S/C21H20N2O3S/c1-21(2,3)15-8-6-14(7-9-15)19(25)26-16-10-4-13(5-11-16)12-17-18(24)23-20(22)27-17/h4-12H,1-3H3,(H2,22,23,24)/b17-12+
【InChIKey】
InChIKey=UPYOSOWMTADNOX-SFQUDFHCSA-N
【SMILES】
CC(C)(C)c1ccc(cc1)C(=O)Oc2ccc(cc2)/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:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-((2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL)PHENYL 4-TERT-BUTYLBENZOATE.cml