2-O-methyl 4-O-propan-2-yl 3-methyl-5-[(3-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate
Basic information
- CAS
444998-36-1- Standard SMILES
COC(=O)c1sc(NC(=O)c2cccc([N+](=O)[O-])c2)c(C(=O)OC(C)C)c1C- InChIKey
JGZWTOHNFKROQC-UHFFFAOYSA-N- Molecular formula
- C18H18N2O7S
- Average molar mass
- 406.4 g/mol
Names & identifiers
- Preferred name
- 2-O-methyl 4-O-propan-2-yl 3-methyl-5-[(3-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate
- IUPAC
- 2-O-methyl 4-O-propan-2-yl 3-methyl-5-[(3-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate
- English name
- 4-isopropyl 2-methyl 5-({3-nitrobenzoyl}amino)-3-methylthiophene-2,4-dicarboxylate
- Molecular formula
- C18H18N2O7S
- Molecular weight
- 406.40972
Names & synonyms
2-O-methyl 4-O-propan-2-yl 3-methyl-5-[(3-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate4-isopropyl 2-methyl 5-({3-nitrobenzoyl}amino)-3-methylthiophene-2,4-dicarboxylateOprea1_403900STK451477AKOS003293725ST50931065AK-968/406419362-methyl 4-propan-2-yl 3-methyl-5-{[(3-nitrophenyl)carbonyl]amino}thiophene-2,4-dicarboxylate444998-36-1methyl 3-methyl-4-[(methylethyl)oxycarbonyl]-5-[(3-nitrophenyl)carbonylamino]t hiophene-2-carboxylate
Database identifiers
- CAS
444998-36-1
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 622
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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