ZOT
Summary
| Name: | 2-(3-chloranylbenzo[b][1]benzothiepin-5-yl)oxy-N,N-dimethyl-ethanamine |
| Formula: | C18 H18 Cl N O S |
| Formal charge: | 0 |
| Formula weight: | 331.86 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-(3-chloranylbenzo[b][1]benzothiepin-5-yl)oxy-~{N},~{N}-dimethyl-ethanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H18ClNOS/c1-20(2)9-10-21-16-11-13-5-3-4-6-17(13)22-18-8-7-14(19)12-15(16)18/h3-8,11-12H,9-10H2,1-2H3 |
| InChIKey | InChI | 1.03 | HDOZVRUNCMBHFH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)CCOC1=Cc2ccccc2Sc3ccc(Cl)cc13 |
| SMILES | CACTVS | 3.385 | CN(C)CCOC1=Cc2ccccc2Sc3ccc(Cl)cc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN(C)CCOC1=Cc2ccccc2Sc3c1cc(cc3)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN(C)CCOC1=Cc2ccccc2Sc3c1cc(cc3)Cl |
