11E
Summary
| Name: | N-[(2-amino-1,3-benzothiazol-6-yl)carbonyl]glycine |
| Formula: | C10 H9 N3 O3 S |
| Formal charge: | 0 |
| Formula weight: | 251.262 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(2-amino-1,3-benzothiazol-6-yl)carbonyl]glycine |
| OpenEye OEToolkits | 1.7.6 | 2-[(2-azanyl-1,3-benzothiazol-6-yl)carbonylamino]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CNC(=O)c1ccc2nc(sc2c1)N |
| InChI | InChI | 1.03 | InChI=1S/C10H9N3O3S/c11-10-13-6-2-1-5(3-7(6)17-10)9(16)12-4-8(14)15/h1-3H,4H2,(H2,11,13)(H,12,16)(H,14,15) |
| InChIKey | InChI | 1.03 | JTXHRLUPQXMVPR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Nc1sc2cc(ccc2n1)C(=O)NCC(O)=O |
| SMILES | CACTVS | 3.370 | Nc1sc2cc(ccc2n1)C(=O)NCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1C(=O)NCC(=O)O)sc(n2)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1C(=O)NCC(=O)O)sc(n2)N |
