HJW
Summary
| Name: | ethyl (2~{S})-2-[(2-chloranyl-6-methyl-phenyl)-thiophen-2-ylcarbonyl-amino]propanoate |
| Formula: | C17 H18 Cl N O3 S |
| Formal charge: | 0 |
| Formula weight: | 351.848 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ethyl (2~{S})-2-[(2-chloranyl-6-methyl-phenyl)-thiophen-2-ylcarbonyl-amino]propanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H18ClNO3S/c1-4-22-17(21)12(3)19(16(20)14-9-6-10-23-14)15-11(2)7-5-8-13(15)18/h5-10,12H,4H2,1-3H3/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | XYAGVCFCNDDPMS-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)[C@H](C)N(C(=O)c1sccc1)c2c(C)cccc2Cl |
| SMILES | CACTVS | 3.385 | CCOC(=O)[CH](C)N(C(=O)c1sccc1)c2c(C)cccc2Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCOC(=O)[C@H](C)N(c1c(cccc1Cl)C)C(=O)c2cccs2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCOC(=O)C(C)N(c1c(cccc1Cl)C)C(=O)c2cccs2 |
