GUQ
Summary
| Name: | 3-(1,3-benzothiazol-2-ylamino)-4-(2-methoxyphenyl)pyrrole-2,5-dione |
| Formula: | C18 H13 N3 O3 S |
| Formal charge: | 0 |
| Formula weight: | 351.379 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-(1,3-benzothiazol-2-ylamino)-4-(2-methoxyphenyl)pyrrole-2,5-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H13N3O3S/c1-24-12-8-4-2-6-10(12)14-15(17(23)21-16(14)22)20-18-19-11-7-3-5-9-13(11)25-18/h2-9H,1H3,(H2,19,20,21,22,23) |
| InChIKey | InChI | 1.03 | DKODQPUAYQCESR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccccc1C2=C(Nc3sc4ccccc4n3)C(=O)NC2=O |
| SMILES | CACTVS | 3.385 | COc1ccccc1C2=C(Nc3sc4ccccc4n3)C(=O)NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1ccccc1C2=C(C(=O)NC2=O)Nc3nc4ccccc4s3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | COc1ccccc1C2=C(C(=O)NC2=O)Nc3nc4ccccc4s3 |
