K4K
Summary
| Name: | (3~{S})-3-oxidanyl-2-oxidanylidene-1-phenyl-~{N}-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide |
| Formula: | C17 H18 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 330.401 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{S})-3-oxidanyl-2-oxidanylidene-1-phenyl-~{N}-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H18N2O3S/c20-15(18-10-8-14-7-4-12-23-14)17(22)9-11-19(16(17)21)13-5-2-1-3-6-13/h1-7,12,22H,8-11H2,(H,18,20)/t17-/m0/s1 |
| InChIKey | InChI | 1.03 | FZATYXICMFSLHR-KRWDZBQOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@]1(CCN(C1=O)c2ccccc2)C(=O)NCCc3sccc3 |
| SMILES | CACTVS | 3.385 | O[C]1(CCN(C1=O)c2ccccc2)C(=O)NCCc3sccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)N2CC[C@@](C2=O)(C(=O)NCCc3cccs3)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)N2CCC(C2=O)(C(=O)NCCc3cccs3)O |
