MPE
Summary
| Name: | (1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIMINO)-ACETIC ACID |
| Formula: | C12 H14 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 266.316 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R)-1H-indol-3-yl[(2-sulfanylethoxy)amino]ethanoic acid |
| OpenEye OEToolkits | 1.5.0 | (2R)-2-(1H-indol-3-yl)-2-(2-sulfanylethoxyamino)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(c2c1ccccc1nc2)NOCCS |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)[C@H](NOCCS)c1c[nH]c2ccccc12 |
| SMILES | CACTVS | 3.341 | OC(=O)[CH](NOCCS)c1c[nH]c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)c(c[nH]2)[C@H](C(=O)O)NOCCS |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)c(c[nH]2)C(C(=O)O)NOCCS |
| InChI | InChI | 1.03 | InChI=1S/C12H14N2O3S/c15-12(16)11(14-17-5-6-18)9-7-13-10-4-2-1-3-8(9)10/h1-4,7,11,13-14,18H,5-6H2,(H,15,16)/t11-/m1/s1 |
| InChIKey | InChI | 1.03 | FJAWIBGKKKXXAL-LLVKDONJSA-N |
