23236-18-2
5-[(3-ETHYL-2(3H)-BENZOXAZOLYLIDENE)ETHYLIDENE]-4-OXO-2-THIOXO 3-THIAZOLIDINEACETIC ACID
Name5-[(3-ETHYL-2(3H)-BENZOXAZOLYLIDENE)ETHYLIDENE]-4-OXO-2-THIOXO 3-THIAZOLIDINEACETIC ACID
1Identification
【Name】
5-[(3-ETHYL-2(3H)-BENZOXAZOLYLIDENE)ETHYLIDENE]-4-OXO-2-THIOXO 3-THIAZOLIDINEACETIC ACID
【CAS】
【MDL】
MFCD00143397
【English Synonyms】
【Formula】
C16 H14 N2 O4 S2
【MolWeight】
362.429
【Inchi】
InChI=1S/C16H14N2O4S2/c1-2-17-10-5-3-4-6-11(10)22-13(17)8-7-12-15(21)18(9-14(19)20)16(23)24-12/h3-8H,2,9H2,1H3,(H,19,20)/b12-7+,13-8-
【InChIKey】
InChIKey=QWFJNAHLMKUKHA-GUFPOKFQSA-N
【SMILES】
CCN\1c2ccccc2O/C1=C\C=C\3/C(=O)N(C(=S)S3)CC(=O)O
【MOL File】
5-[(3-ETHYL-2(3H)-BE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-[(3-ETHYL-2(3H)-BENZOXAZOLYLIDENE)ETHYLIDENE]-4-OXO-2-THIOXO 3-THIAZOLIDINEACETIC ACID.cml