A1IMK
Summary
| Name: | 1-[2-(3-oxidanylidene-1,4-benzothiazin-4-yl)ethanoylamino]cyclohexane-1-carboxylic acid |
| Synonyms: | 1-[2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl)acetamido]cyclohexane-1-carboxylic acid |
| Formula: | C17 H20 N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 348.417 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[2-(3-oxidanylidene-1,4-benzothiazin-4-yl)ethanoylamino]cyclohexane-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H20N2O4S/c20-14(18-17(16(22)23)8-4-1-5-9-17)10-19-12-6-2-3-7-13(12)24-11-15(19)21/h2-3,6-7H,1,4-5,8-11H2,(H,18,20)(H,22,23) |
| InChIKey | InChI | 1.06 | FCKIUCLVCBWWRY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C1(CCCCC1)NC(=O)CN2C(=O)CSc3ccccc23 |
| SMILES | CACTVS | 3.385 | OC(=O)C1(CCCCC1)NC(=O)CN2C(=O)CSc3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)N(C(=O)CS2)CC(=O)NC3(CCCCC3)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)N(C(=O)CS2)CC(=O)NC3(CCCCC3)C(=O)O |
