Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1cc(C(OCC)=O)ccc1c2csc4c2OC(N3CCOCC3)=CC4=O |
InChI | InChI | 1.03 | InChI=1S/C20H19NO5S/c1-2-25-20(23)14-5-3-13(4-6-14)15-12-27-19-16(22)11-17(26-18(15)19)21-7-9-24-10-8-21/h3-6,11-12H,2,7-10H2,1H3 |
InChIKey | InChI | 1.03 | VRBZWFAUTHKRBB-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)c1ccc(cc1)c2csc3C(=O)C=C(Oc23)N4CCOCC4 |
SMILES | CACTVS | 3.385 | CCOC(=O)c1ccc(cc1)c2csc3C(=O)C=C(Oc23)N4CCOCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCOC(=O)c1ccc(cc1)c2csc3c2OC(=CC3=O)N4CCOCC4 |
SMILES | OpenEye OEToolkits | 2.0.6 | CCOC(=O)c1ccc(cc1)c2csc3c2OC(=CC3=O)N4CCOCC4 |