LEQ
Summary
| Name: | 5-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-ylcarbonyl)-1-methyl-pyridin-2-one |
| Formula: | C14 H14 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 274.338 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-ylcarbonyl)-1-methyl-pyridin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H14N2O2S/c1-15-8-11(2-3-13(15)17)14(18)16-6-4-12-10(9-16)5-7-19-12/h2-3,5,7-8H,4,6,9H2,1H3 |
| InChIKey | InChI | 1.03 | PXCRFQLKGNEWBG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C=C(C=CC1=O)C(=O)N2CCc3sccc3C2 |
| SMILES | CACTVS | 3.385 | CN1C=C(C=CC1=O)C(=O)N2CCc3sccc3C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1C=C(C=CC1=O)C(=O)N2CCc3c(ccs3)C2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1C=C(C=CC1=O)C(=O)N2CCc3c(ccs3)C2 |
