PDB CCD ID: | STH |
Number of entries in BioLiP: | 4 |
Chemical formula: | C8 H9 N O2 S |
InChI: | InChI=1S/C8H9NO2S/c9-8-11-6-4-2-1-3-5(6)7(10)12-8/h1-4,7-8,10H,9H2/t7-,8+/m1/s1 |
InChIKey: | DVFUKUONLVBBEH-SFYZADRCSA-N |
SMILES: | Software | SMILES |
---|
OpenEye OEToolkits 1.5.0 | c1ccc2c(c1)C(SC(O2)N)O | ACDLabs 10.04 | O2c1ccccc1C(O)SC2N | CACTVS 3.341 | N[CH]1Oc2ccccc2[CH](O)S1 | OpenEye OEToolkits 1.5.0 | c1ccc2c(c1)C(S[C@H](O2)N)O | CACTVS 3.341 | N[C@H]1Oc2ccccc2[C@H](O)S1 |
|
Name: | 2-AMINO-4H-1,3-BENZOXATHIIN-4-OL |
DrugBank: | DB03972 |
ZINC: | ZINC000012504068 |