590378-99-7
4-[[[2-[4-(3-HYDROXY-3-METHYL-1-BUTYNYL)PHENYL]-3-THIAZOLIDINYL]THIOXOMETHYL]AMINO]-BENZOIC ACID ETHYL ESTER
Name4-[[[2-[4-(3-HYDROXY-3-METHYL-1-BUTYNYL)PHENYL]-3-THIAZOLIDINYL]THIOXOMETHYL]AMINO]-BENZOIC ACID ETHYL ESTER
1Identification
【Name】
4-[[[2-[4-(3-HYDROXY-3-METHYL-1-BUTYNYL)PHENYL]-3-THIAZOLIDINYL]THIOXOMETHYL]AMINO]-BENZOIC ACID ETHYL ESTER
【CAS】
【MDL】
MFCD03916320
【English Synonyms】
【Formula】
C24 H26 N2 O3 S2
【MolWeight】
454.612
【Inchi】
InChI=1S/C24H26N2O3S2/c1-4-29-22(27)19-9-11-20(12-10-19)25-23(30)26-15-16-31-21(26)18-7-5-17(6-8-18)13-14-24(2,3)28/h5-12,21,28H,4,15-16H2,1-3H3,(H,25,30)
【InChIKey】
InChIKey=GNDFGQGNFVAFKW-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1ccc(cc1)NC(=S)N2CCSC2c3ccc(cc3)C#CC(C)(C)O
【MOL File】
4-[[[2-[4-(3-HYDROXY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-[[[2-[4-(3-HYDROXY-3-METHYL-1-BUTYNYL)PHENYL]-3-THIAZOLIDINYL]THIOXOMETHYL]AMINO]-BENZOIC ACID ETHYL ESTER.cml