A1CI4
Summary
| Name: | (6M)-3-hydroxy-6-[2-(methylsulfanyl)phenyl]-4-oxo-1,4-dihydropyridine-2-carboxylic acid |
| Formula: | C13 H11 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 277.296 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (6M)-3-hydroxy-6-[2-(methylsulfanyl)phenyl]-4-oxo-1,4-dihydropyridine-2-carboxylic acid |
| OpenEye OEToolkits | 3.1.0.0 | 6-(2-methylsulfanylphenyl)-3-oxidanyl-4-oxidanylidene-1~{H}-pyridine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | OC=1C(=O)C=C(NC=1C(O)=O)c1ccccc1SC |
| InChI | InChI | 1.06 | InChI=1S/C13H11NO4S/c1-19-10-5-3-2-4-7(10)8-6-9(15)12(16)11(14-8)13(17)18/h2-6,16H,1H3,(H,14,15)(H,17,18) |
| InChIKey | InChI | 1.06 | AZEGPEPFGDTWGW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSc1ccccc1C2=CC(=O)C(=C(N2)C(O)=O)O |
| SMILES | CACTVS | 3.385 | CSc1ccccc1C2=CC(=O)C(=C(N2)C(O)=O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CSc1ccccc1C2=CC(=O)C(=C(N2)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CSc1ccccc1C2=CC(=O)C(=C(N2)C(=O)O)O |
