CEO
Summary
| Name: | 5-METHYLENE-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID |
| Synonyms: | HYDROLYZED CEPHALOTHIN |
| Formula: | C14 H14 N2 O4 S2 |
| Formal charge: | 0 |
| Formula weight: | 338.402 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R)-5-methylidene-2-{(1R)-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
| OpenEye OEToolkits | 1.5.0 | (2R)-5-methylidene-2-[(1R)-2-oxo-1-(2-thiophen-2-ylethanoylamino)ethyl]-2H-1,3-thiazine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=CC(NC(=O)Cc1sccc1)C2N=C(\C(=C)CS2)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)C1=N[C@H](SCC1=C)[C@H](NC(=O)Cc2sccc2)C=O |
| SMILES | CACTVS | 3.341 | OC(=O)C1=N[CH](SCC1=C)[CH](NC(=O)Cc2sccc2)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C=C1CS[C@@H](N=C1C(=O)O)[C@@H](C=O)NC(=O)Cc2cccs2 |
| SMILES | OpenEye OEToolkits | 1.5.0 | C=C1CSC(N=C1C(=O)O)C(C=O)NC(=O)Cc2cccs2 |
| InChI | InChI | 1.03 | InChI=1S/C14H14N2O4S2/c1-8-7-22-13(16-12(8)14(19)20)10(6-17)15-11(18)5-9-3-2-4-21-9/h2-4,6,10,13H,1,5,7H2,(H,15,18)(H,19,20)/t10-,13-/m1/s1 |
| InChIKey | InChI | 1.03 | FYGLCWWPHIWVKN-ZWNOBZJWSA-N |
