A1IML
Summary
| Name: | 1-[2-(2-oxidanylidene-5-phenyl-1,3-benzothiazol-3-yl)ethanoylamino]cyclohexane-1-carboxylic acid |
| Synonyms: | 1-[2-(2-oxo-5-phenyl-2,3-dihydro-1,3-benzothiazol-3-yl)acetamido]cyclohexane-1-carboxylic acid |
| Formula: | C22 H22 N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 410.486 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[2-(2-oxidanylidene-5-phenyl-1,3-benzothiazol-3-yl)ethanoylamino]cyclohexane-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C22H22N2O4S/c25-19(23-22(20(26)27)11-5-2-6-12-22)14-24-17-13-16(15-7-3-1-4-8-15)9-10-18(17)29-21(24)28/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H,23,25)(H,26,27) |
| InChIKey | InChI | 1.06 | KERHWCOXYCPJNO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C1(CCCCC1)NC(=O)CN2C(=O)Sc3ccc(cc23)c4ccccc4 |
| SMILES | CACTVS | 3.385 | OC(=O)C1(CCCCC1)NC(=O)CN2C(=O)Sc3ccc(cc23)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ccc3c(c2)N(C(=O)S3)CC(=O)NC4(CCCCC4)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ccc3c(c2)N(C(=O)S3)CC(=O)NC4(CCCCC4)C(=O)O |
