A1JVH
Summary
| Name: | 1-[2-(5-chloranyl-2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoylamino]cyclohexane-1-carboxylic acid |
| Synonyms: | 1-[2-(5-chloro-2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)acetamido]cyclohexane-1-carboxylic acid |
| Formula: | C16 H17 Cl N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 368.835 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[2-(5-chloranyl-2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoylamino]cyclohexane-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H17ClN2O4S/c17-10-4-5-12-11(8-10)19(15(23)24-12)9-13(20)18-16(14(21)22)6-2-1-3-7-16/h4-5,8H,1-3,6-7,9H2,(H,18,20)(H,21,22) |
| InChIKey | InChI | 1.06 | FIJSRJHUFKKOOX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C1(CCCCC1)NC(=O)CN2C(=O)Sc3ccc(Cl)cc23 |
| SMILES | CACTVS | 3.385 | OC(=O)C1(CCCCC1)NC(=O)CN2C(=O)Sc3ccc(Cl)cc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1Cl)N(C(=O)S2)CC(=O)NC3(CCCCC3)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1Cl)N(C(=O)S2)CC(=O)NC3(CCCCC3)C(=O)O |
