A1CMC
Summary
| Name: | (2P)-2-[2-(methylamino)-1,3-benzothiazol-6-yl]cyclopent-1-ene-1-carboxylic acid |
| Formula: | C14 H14 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 274.338 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (2P)-2-[2-(methylamino)-1,3-benzothiazol-6-yl]cyclopent-1-ene-1-carboxylic acid |
| OpenEye OEToolkits | 3.1.0.0 | 2-[2-(methylamino)-1,3-benzothiazol-6-yl]cyclopentene-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(O)C=1CCCC=1c1ccc2nc(NC)sc2c1 |
| InChI | InChI | 1.06 | InChI=1S/C14H14N2O2S/c1-15-14-16-11-6-5-8(7-12(11)19-14)9-3-2-4-10(9)13(17)18/h5-7H,2-4H2,1H3,(H,15,16)(H,17,18) |
| InChIKey | InChI | 1.06 | IZNNHGCHYVDFHH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1sc2cc(ccc2n1)C3=C(CCC3)C(O)=O |
| SMILES | CACTVS | 3.385 | CNc1sc2cc(ccc2n1)C3=C(CCC3)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CNc1nc2ccc(cc2s1)C3=C(CCC3)C(=O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CNc1nc2ccc(cc2s1)C3=C(CCC3)C(=O)O |
