| Identification | More | [Name]
2-[2-[[(Phenylmethoxy)carbonyl]amino]-4-thiazolyl]-2-pentenedioic acid 5-(3-methyl-2-butenyl) ester | [CAS]
115065-79-7 | [Synonyms]
2-[2-[[(phenylmethoxy)carbonyl]amino]-4-thiazolyl]-2-pentenedioic acid 5-(3-methyl-2-butenyl) ester
ceftibuten sidechain
(Z)-2-(2-benzoylcarbonylaminothiazol-4-yl) 4-carboxy-2-butenoic acid prenyl ester | [EINECS(EC#)]
601-343-4 | [Molecular Formula]
C21H22N2O6S | [MDL Number]
MFCD09750993 | [Molecular Weight]
430.47 | [MOL File]
115065-79-7.mol |
| Chemical Properties | Back Directory | [density ]
1.329 | [storage temp. ]
2-8°C | [pka]
2.90±0.19(Predicted) | [InChI]
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) | [InChIKey]
QSJNRPJXKFDFPH-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C(C1=CSC(NC(OCC2=CC=CC=C2)=O)=N1)=CCC(OC/C=C(\C)/C)=O | [CAS DataBase Reference]
115065-79-7(CAS DataBase Reference) |
| Hazard Information | Back Directory | [Uses]
(E,Z)-2-(2-Benzyloxycarbonylamino-4-thiazol)-4-(3-methyl-2-butenyloxycarbonyl)-2-butenoic Acid, can be used in the synthesis of Ceftibuten (C244500), an antibacterial. |
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