D9I
Summary
| Name: | 3-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)-(4-sulfamoylphenyl)amino]propanoic acid |
| Formula: | C16 H19 N3 O6 S2 |
| Formal charge: | 0 |
| Formula weight: | 413.469 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)-(4-sulfamoylphenyl)amino]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H19N3O6S2/c1-3-25-15(22)14-10(2)18-16(26-14)19(9-8-13(20)21)11-4-6-12(7-5-11)27(17,23)24/h4-7H,3,8-9H2,1-2H3,(H,20,21)(H2,17,23,24) |
| InChIKey | InChI | 1.06 | OEIHDHZLMSNYJC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)c1sc(nc1C)N(CCC(O)=O)c2ccc(cc2)[S](N)(=O)=O |
| SMILES | CACTVS | 3.385 | CCOC(=O)c1sc(nc1C)N(CCC(O)=O)c2ccc(cc2)[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOC(=O)c1c(nc(s1)N(CCC(=O)O)c2ccc(cc2)S(=O)(=O)N)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOC(=O)c1c(nc(s1)N(CCC(=O)O)c2ccc(cc2)S(=O)(=O)N)C |
