InChI=1S/C21H22N2O6S/c1-14(2)10-11-28-18(24)9-8-16(19(25)26)17-13-30-20(22-17)23-21(27)29-12-15-6-4-3-5-7-15/h3-8,10,13H,9,11-12H2,1-2H3,(H,25,26)(H,22,23,27)/b16-8+

【InChIKey】

InChIKey=QSJNRPJXKFDFPH-LZYBPNLTSA-N

【SMILES】

CC(=CCOC(=O)C/C=C(\c1csc(n1)NC(=O)OCc2ccccc2)/C(=O)O)C

【MOL File】

(E,Z)-2-(2-BENZYLOXY….mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:2

H bond acceptor:8

XLogP3:5.0

Bulk/Fine:FB

3Material Safety Data Sheet(MSDS)

4CML File

(E,Z)-2-(2-BENZYLOXYCARBONYLAMINO-4-THIAZOL)-4-(3-METHYL-2-BUTENYLOXYCARBONYL)-2-BUTENOIC ACID.cml

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155657-19-5 (E,Z)-2-(2-BENZYLOXYCARBONYLAMINO-4-THIAZOL)-4-(3-METHYL-2-BUTENYLOXYCARBONYL)-2-BUTENOIC ACID

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】