4-O-ethyl 2-O-methyl 3-methyl-5-[(4-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate
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Basic information
- CAS
433943-52-3- Standard SMILES
CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc(C(=O)OC)c1C- InChIKey
VHBCLXHBRNUFPW-UHFFFAOYSA-N- Molecular formula
- C17H16N2O7S
- Average molar mass
- 392.4 g/mol
- Monoisotopic mass
- 392.06782203
Names & identifiers
- Preferred name
- 4-O-ethyl 2-O-methyl 3-methyl-5-[(4-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate
- IUPAC
- 4-O-ethyl 2-O-methyl 3-methyl-5-[(4-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate
- English name
- 4-ethyl 2-methyl 5-({4-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate
- Molecular formula
- C17H16N2O7S
- Molecular weight
- 392.38
Names & synonyms
433943-52-34-O-ethyl 2-O-methyl 3-methyl-5-[(4-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate4-ethyl 2-methyl 5-({4-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylateOprea1_780128Oprea1_822376STK412800AKOS003196244ST50932370AK-968/40710233SR-01000247307SR-01000247307-14-ETHYL 2-METHYL 3-METHYL-5-(4-NITROBENZAMIDO)THIOPHENE-2,4-DICARBOXYLATE
Show more names
2,4-Thiophenedicarboxylic acid, 3-methyl-5-[(4-nitrobenzoyl)amino]-, 4-ethyl 2-methyl ester
4-ethyl 2-methyl 3-methyl-5-{[(4-nitrophenyl)carbonyl]amino}thiophene-2,4-dicarboxylatemethyl 4-(ethoxycarbonyl)-3-methyl-5-[(4-nitrophenyl)carbonylamino]thiophene-2 -carboxylate
Database identifiers
- CAS
433943-52-3- PubChem CID
- 1758208
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 586
Physicochemical properties
- Boiling point
- 487.2 · 487.2±45.0 °C(Predicted)
- Density
- 1.41 · 1.410±0.06 g/cm3(Predicted)
- pka
- 10.78 · 10.78±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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