J2C
Summary
| Name: | 8-(2-chloroacetyl)-4-(furan-2-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one |
| Formula: | C14 H17 Cl N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 328.814 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 8-(2-chloranylethanoyl)-4-(furan-2-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H17ClN2O3S/c15-8-12(18)16-5-3-14(4-6-16)17(13(19)10-21-14)9-11-2-1-7-20-11/h1-2,7H,3-6,8-10H2 |
| InChIKey | InChI | 1.03 | JVOXTZLPLJUOKX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ClCC(=O)N1CCC2(CC1)SCC(=O)N2Cc3occc3 |
| SMILES | CACTVS | 3.385 | ClCC(=O)N1CCC2(CC1)SCC(=O)N2Cc3occc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(oc1)CN2C(=O)CSC23CCN(CC3)C(=O)CCl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(oc1)CN2C(=O)CSC23CCN(CC3)C(=O)CCl |
