CES
Summary
| Name: | 2-[CARBOXY-(2-FURAN-2-YL-2-METHOXYIMINO-ACETYLAMINO)-METHYL]-5-METHYL-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID |
| Synonyms: | CEFUROXIME (INHIBITION FORM) |
| Formula: | C15 H17 N3 O7 S |
| Formal charge: | 0 |
| Formula weight: | 383.376 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R)-2-[(R)-carboxy{[(2Z)-2-furan-2-yl-2-(methoxyimino)acetyl]amino}methyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
| OpenEye OEToolkits | 1.5.0 | (2R)-2-[(1R)-1-[[(2Z)-2-(furan-2-yl)-2-methoxyimino-ethanoyl]amino]-2-hydroxy-2-oxo-ethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(NC(=O)/C(=N\OC)c1occc1)C2SCC(=C(N2)C(=O)O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CO\N=C(C(=O)N[C@@H]([C@@H]1NC(=C(C)CS1)C(O)=O)C(O)=O)\c2occc2 |
| SMILES | CACTVS | 3.341 | CON=C(C(=O)N[CH]([CH]1NC(=C(C)CS1)C(O)=O)C(O)=O)c2occc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1=C(N[C@H](SC1)[C@@H](C(=O)O)NC(=O)/C(=N\OC)/c2ccco2)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1=C(NC(SC1)C(C(=O)O)NC(=O)C(=NOC)c2ccco2)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C15H17N3O7S/c1-7-6-26-13(17-9(7)14(20)21)11(15(22)23)16-12(19)10(18-24-2)8-4-3-5-25-8/h3-5,11,13,17H,6H2,1-2H3,(H,16,19)(H,20,21)(H,22,23)/b18-10-/t11-,13+/m0/s1 |
| InChIKey | InChI | 1.03 | XTOFBDKWRLNHGR-LHLQUDMSSA-N |
