| Identification | Back Directory | [Name]
ethyl 2-((ethoxycarbonyl)amino)-4-methyl-5-(4-nitrophenyl)thiophene-3-carboxylate | [CAS]
308831-93-8 | [Synonyms]
RELU-002
TUBEPHARM3TM
Relugolix intermediate1
Ethyl2-((ethoxycarbony)amino)-4-methyl-5-(4-nitropheny)thiophene-3-carboxylate
ethyl 2-((ethoxycarbonyl)amino)-4-methyl-5-(4-nitrophenyl)thiophene-3-carboxylate
3-Thiophenecarboxylic acid, 2-[(ethoxycarbonyl)amino]-4-methyl-5-(4-nitrophenyl)-, ethyl ester | [EINECS(EC#)]
840-147-5 | [Molecular Formula]
C17H18N2O6S | [MDL Number]
MFCD31811620 | [MOL File]
308831-93-8.mol | [Molecular Weight]
378.4 |
| Chemical Properties | Back Directory | [Boiling point ]
478.7±45.0 °C(Predicted) | [density ]
1.338±0.06 g/cm3(Predicted) | [pka]
12?+-.0.70(Predicted) | [InChI]
InChI=1S/C17H18N2O6S/c1-4-24-16(20)13-10(3)14(26-15(13)18-17(21)25-5-2)11-6-8-12(9-7-11)19(22)23/h6-9H,4-5H2,1-3H3,(H,18,21) | [InChIKey]
JKWXCLIILRALMG-UHFFFAOYSA-N | [SMILES]
C1(NC(OCC)=O)SC(C2=CC=C([N+]([O-])=O)C=C2)=C(C)C=1C(OCC)=O |
|
|