UC3
Summary
| Name: | 1-METHYL ETHYL 2-CHLORO-5-[[[(1-METHYLETHOXY)THIOOXO]METHYL]AMINO]-BENZOATE |
| Synonyms: | UC38 |
| Formula: | C14 H18 Cl N O3 S |
| Formal charge: | 0 |
| Formula weight: | 315.816 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-methylethyl 2-chloro-5-{[(1-methylethoxy)carbonothioyl]amino}benzoate |
| OpenEye OEToolkits | 1.5.0 | propan-2-yl 2-chloro-5-(propan-2-yloxycarbothioylamino)benzoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(OC(C)C)c1cc(ccc1Cl)NC(=S)OC(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)OC(=S)Nc1ccc(Cl)c(c1)C(=O)OC(C)C |
| SMILES | CACTVS | 3.341 | CC(C)OC(=S)Nc1ccc(Cl)c(c1)C(=O)OC(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)OC(=O)c1cc(ccc1Cl)NC(=S)OC(C)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)OC(=O)c1cc(ccc1Cl)NC(=S)OC(C)C |
| InChI | InChI | 1.03 | InChI=1S/C14H18ClNO3S/c1-8(2)18-13(17)11-7-10(5-6-12(11)15)16-14(20)19-9(3)4/h5-9H,1-4H3,(H,16,20) |
| InChIKey | InChI | 1.03 | AXTNFJKQZPETJA-UHFFFAOYSA-N |
