500276-74-4
ETHYL 2-[3-[4-(BENZYLOXY)-2-METHYLBENZOYL]-4-HYDROXY-5-OXO-2-PHENYL-2,5-DIHYDRO-1H-PYRROL-1-YL]-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATE
NameETHYL 2-[3-[4-(BENZYLOXY)-2-METHYLBENZOYL]-4-HYDROXY-5-OXO-2-PHENYL-2,5-DIHYDRO-1H-PYRROL-1-YL]-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATE
1Identification
【Name】
ETHYL 2-[3-[4-(BENZYLOXY)-2-METHYLBENZOYL]-4-HYDROXY-5-OXO-2-PHENYL-2,5-DIHYDRO-1H-PYRROL-1-YL]-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATE
【CAS】
【MDL】
MFCD03305181
【English Synonyms】
【Formula】
C32 H28 N2 O6 S
【MolWeight】
568.647
【Inchi】
InChI=1S/C32H28N2O6S/c1-4-39-31(38)29-20(3)33-32(41-29)34-26(22-13-9-6-10-14-22)25(28(36)30(34)37)27(35)24-16-15-23(17-19(24)2)40-18-21-11-7-5-8-12-21/h5-17,26,36H,4,18H2,1-3H3
【InChIKey】
InChIKey=YWKXLULHBVRDJB-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c(nc(s1)N2C(C(=C(C2=O)O)C(=O)c3ccc(cc3C)OCc4ccccc4)c5ccccc5)C
【MOL File】
ETHYL 2-[3-[4-(BENZY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 2-[3-[4-(BENZYLOXY)-2-METHYLBENZOYL]-4-HYDROXY-5-OXO-2-PHENYL-2,5-DIHYDRO-1H-PYRROL-1-YL]-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATE.cml