Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1COCCN1C2=CC(c3c(O2)c(cs3)c5ccc4OCCOc4c5)=O |
InChI | InChI | 1.03 | InChI=1S/C19H17NO5S/c21-14-10-17(20-3-5-22-6-4-20)25-18-13(11-26-19(14)18)12-1-2-15-16(9-12)24-8-7-23-15/h1-2,9-11H,3-8H2 |
InChIKey | InChI | 1.03 | BYTKNUOMWLJVNQ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C1C=C(Oc2c1scc2c3ccc4OCCOc4c3)N5CCOCC5 |
SMILES | CACTVS | 3.385 | O=C1C=C(Oc2c1scc2c3ccc4OCCOc4c3)N5CCOCC5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1c3csc4c3OC(=CC4=O)N5CCOCC5)OCCO2 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1c3csc4c3OC(=CC4=O)N5CCOCC5)OCCO2 |