36P
Summary
| Name: | 2,3-dihydroindol-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone |
| Formula: | C16 H12 N2 O S2 |
| Formal charge: | 0 |
| Formula weight: | 312.409 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2,3-dihydro-1H-indol-1-yl[2-(thiophen-3-yl)-1,3-thiazol-4-yl]methanone |
| OpenEye OEToolkits | 1.9.2 | 2,3-dihydroindol-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1nc(sc1)c2cscc2)N4c3ccccc3CC4 |
| InChI | InChI | 1.03 | InChI=1S/C16H12N2OS2/c19-16(18-7-5-11-3-1-2-4-14(11)18)13-10-21-15(17-13)12-6-8-20-9-12/h1-4,6,8-10H,5,7H2 |
| InChIKey | InChI | 1.03 | IJYXCHGILIEIHU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(N1CCc2ccccc12)c3csc(n3)c4cscc4 |
| SMILES | CACTVS | 3.385 | O=C(N1CCc2ccccc12)c3csc(n3)c4cscc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)CCN2C(=O)c3csc(n3)c4ccsc4 |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)CCN2C(=O)c3csc(n3)c4ccsc4 |
