Basic information
- CAS
444927-45-1- Standard SMILES
CCOC(=O)c1cc(C)sc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1- InChIKey
JEKHHKOGLHYYDT-UHFFFAOYSA-N- Molecular formula
- C16H16N2O5S
- Average molar mass
- 348.4 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-({3-nitro-4-methylbenzoyl}amino)-5-methylthiophene-3-carboxylate
- IUPAC
- ethyl 5-methyl-2-[(4-methyl-3-nitrobenzoyl)amino]thiophene-3-carboxylate
- English name
- ethyl 2-({3-nitro-4-methylbenzoyl}amino)-5-methylthiophene-3-carboxylate
- Molecular formula
- C16H16N2O5S
- Molecular weight
- 348.37364
Names & synonyms
ethyl 2-({3-nitro-4-methylbenzoyl}amino)-5-methylthiophene-3-carboxylateOprea1_017662STK452659AKOS003288704ethyl 5-methyl-2-[(4-methyl-3-nitrobenzoyl)amino]thiophene-3-carboxylateST50931394AK-968/15604353ETHYL 5-METHYL-2-(4-METHYL-3-NITROBENZAMIDO)THIOPHENE-3-CARBOXYLATEethyl 5-methyl-2-[(4-methyl-3-nitrophenyl)carbonylamino]thiophene-3-carboxylat eethyl 5-methyl-2-{[(4-methyl-3-nitrophenyl)carbonyl]amino}thiophene-3-carboxylate444927-45-1
Database identifiers
- CAS
444927-45-1
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 495
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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