Basic information
- CAS
337470-73-2- Standard SMILES
CCOC(=O)CSc1sc(C(=O)OCC)c(N)c1-c1ccc(Cl)cc1- InChIKey
CLPOXPQMKYGGTG-UHFFFAOYSA-N- Molecular formula
- C17H18ClNO4S2
- Average molar mass
- 399.9 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-amino-4-(4-chlorophenyl)-5-[(2-ethoxy-2-oxoethyl)sulfanyl]-2-thiophenecarboxylate
- IUPAC
- ethyl 3-amino-4-(4-chlorophenyl)-5-(2-ethoxy-2-oxoethyl)sulfanylthiophene-2-carboxylate
- English name
- ethyl 3-amino-4-(4-chlorophenyl)-5-[(2-ethoxy-2-oxoethyl)sulfanyl]-2-thiophenecarboxylate
- Molecular formula
- C17H18ClNO4S2
- Molecular weight
- 399.91212
Names & synonyms
ethyl 3-amino-4-(4-chlorophenyl)-5-[(2-ethoxy-2-oxoethyl)sulfanyl]-2-thiophenecarboxylateethyl 3-amino-4-(4-chlorophenyl)-5-(2-ethoxy-2-oxoethyl)sulfanylthiophene-2-carboxylateAA-516/25012176AA-516/30012018
Database identifiers
- CAS
337470-73-2
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 460
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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