QY2
Summary
| Name: | 2-methoxyimino-5-(quinolin-6-ylmethyl)-1,3-thiazol-4-one |
| Formula: | C14 H13 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 287.337 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-methoxyimino-5-(quinolin-6-ylmethyl)-1,3-thiazol-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H13N3O2S/c1-19-17-14-16-13(18)12(20-14)8-9-4-5-11-10(7-9)3-2-6-15-11/h2-7,20H,8H2,1H3,(H,16,17,18) |
| InChIKey | InChI | 1.03 | MDVVXHGXULWASP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CO\N=C1\NC(=O)C(=[SH]1)Cc2ccc3ncccc3c2 |
| SMILES | CACTVS | 3.385 | CON=C1NC(=O)C(=[SH]1)Cc2ccc3ncccc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CON=C1NC(=O)C(=S1)Cc2ccc3c(c2)cccn3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CON=C1NC(=O)C(=S1)Cc2ccc3c(c2)cccn3 |
