7R7
Summary
| Name: | (5R)-5-(2,4-dimethoxyphenyl)-2-sulfanylidene-1,3-oxazolidin-4-one |
| Formula: | C11 H11 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 253.274 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5R)-5-(2,4-dimethoxyphenyl)-2-sulfanylidene-1,3-oxazolidin-4-one |
| OpenEye OEToolkits | 2.0.6 | (5~{R})-5-(2,4-dimethoxyphenyl)-2-sulfanylidene-1,3-oxazolidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2c(C1C(NC(O1)=S)=O)c(cc(c2)OC)OC |
| InChI | InChI | 1.03 | InChI=1S/C11H11NO4S/c1-14-6-3-4-7(8(5-6)15-2)9-10(13)12-11(17)16-9/h3-5,9H,1-2H3,(H,12,13,17)/t9-/m1/s1 |
| InChIKey | InChI | 1.03 | OLPJWIMQEIBDQP-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc([C@H]2OC(=S)NC2=O)c(OC)c1 |
| SMILES | CACTVS | 3.385 | COc1ccc([CH]2OC(=S)NC2=O)c(OC)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1ccc(c(c1)OC)[C@@H]2C(=O)NC(=S)O2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | COc1ccc(c(c1)OC)C2C(=O)NC(=S)O2 |
