Basic information
- Standard SMILES
COC(=O)c1cc(N2CCCCS2(=O)=O)c2nc[nH]c2c1- InChIKey
IKEZRGOZFXYOAI-UHFFFAOYSA-N- Molecular formula
- C13H15N3O4S
- Average molar mass
- 309.34 g/mol
Names & identifiers
- Preferred name
- methyl 4-(1,1-dioxidotetrahydro-2H-1,2-thiazin-2-yl)-1H-benzimidazole-6-carboxylate
- IUPAC
- methyl 7-(1,1-dioxothiazinan-2-yl)-3H-benzimidazole-5-carboxylate
Names & synonyms
SCHEMBL5219255SCHEMBL6188856IKEZRGOZFXYOAI-UHFFFAOYSA-Nmethyl 4-(1,1-dioxidotetrahydro-2H-1,2-thiazin-2-yl)-1H-benzimidazole-6-carboxylate
Database identifiers
- PubChem CID
- 69357660
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 504
Related reactions
4 records
Compound notes
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