MWP
Summary
Name: | 1-benzothiophen-6-amine 1,1-dioxide |
Synonyms: | 6-amino-benzothiophene-1,1-dione |
Formula: | C8 H7 N O2 S |
Formal charge: | 0 |
Formula weight: | 181.212 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 1-benzothiophen-6-amine 1,1-dioxide |
OpenEye OEToolkits | 1.7.6 | 1,1-bis(oxidanylidene)-1-benzothiophen-6-amine |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S2(=O)c1cc(ccc1C=C2)N |
InChI | InChI | 1.03 | InChI=1S/C8H7NO2S/c9-7-2-1-6-3-4-12(10,11)8(6)5-7/h1-5H,9H2 |
InChIKey | InChI | 1.03 | KRUCRVZSHWOMHC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Nc1ccc2C=C[S](=O)(=O)c2c1 |
SMILES | CACTVS | 3.370 | Nc1ccc2C=C[S](=O)(=O)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1N)S(=O)(=O)C=C2 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1N)S(=O)(=O)C=C2 |