Basic information
- Standard SMILES
CCOC(=O)CN(C)S(=O)(=O)c1c(C(=O)OC)sc2ccccc12- InChIKey
ULXXVIKGYYJBRH-UHFFFAOYSA-N- Molecular formula
- C15H17NO6S2
- Average molar mass
- 371.4 g/mol
- Monoisotopic mass
- 371.04972961
Names & identifiers
- Preferred name
- Methyl 3-{[(ethoxycarbonylmethyl)-methylamino]sulfonyl}-benzo[b]thiophene-2-carboxylate
- IUPAC
- methyl 3-[(2-ethoxy-2-oxoethyl)-methylsulfamoyl]-1-benzothiophene-2-carboxylate
Names & synonyms
SCHEMBL11393449ULXXVIKGYYJBRH-UHFFFAOYSA-Nmethyl 3-{[(ethoxycarbonylmethyl)-methylamino]sulfonyl}-benzo[b]thiophene-2-carboxylate
Database identifiers
- PubChem CID
- 23468720
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 573
Related reactions
1 records
Compound notes
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