A1IMM
Summary
| Name: | 1-[2-(6-chloranyl-3-oxidanylidene-1,4-benzothiazin-4-yl)ethanoylamino]cyclohexane-1-carboxylic acid |
| Synonyms: | 1-[2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl)acetamido]cyclohexane-1-carboxylic acid |
| Formula: | C17 H19 Cl N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 382.862 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[2-(6-chloranyl-3-oxidanylidene-1,4-benzothiazin-4-yl)ethanoylamino]cyclohexane-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H19ClN2O4S/c18-11-4-5-13-12(8-11)20(15(22)10-25-13)9-14(21)19-17(16(23)24)6-2-1-3-7-17/h4-5,8H,1-3,6-7,9-10H2,(H,19,21)(H,23,24) |
| InChIKey | InChI | 1.06 | FFGKCXHDBIGKHA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C1(CCCCC1)NC(=O)CN2C(=O)CSc3ccc(Cl)cc23 |
| SMILES | CACTVS | 3.385 | OC(=O)C1(CCCCC1)NC(=O)CN2C(=O)CSc3ccc(Cl)cc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1Cl)N(C(=O)CS2)CC(=O)NC3(CCCCC3)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1Cl)N(C(=O)CS2)CC(=O)NC3(CCCCC3)C(=O)O |
