5VB
Summary
| Name: | 1-[(3-thiophen-3-ylphenyl)methyl]-3~{H}-pyrrol-2-one |
| Formula: | C15 H13 N O S |
| Formal charge: | 0 |
| Formula weight: | 255.335 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 1-[(3-thiophen-3-ylphenyl)methyl]-3~{H}-pyrrol-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H13NOS/c17-15-5-2-7-16(15)10-12-3-1-4-13(9-12)14-6-8-18-11-14/h1-4,6-9,11H,5,10H2 |
| InChIKey | InChI | 1.03 | DMVGEVMEROXRGX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1CC=CN1Cc2cccc(c2)c3cscc3 |
| SMILES | CACTVS | 3.385 | O=C1CC=CN1Cc2cccc(c2)c3cscc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc(cc(c1)c2ccsc2)CN3C=CCC3=O |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1cc(cc(c1)c2ccsc2)CN3C=CCC3=O |
