8XV
Summary
| Name: | 2-({3-[1-(2-cyclopropylethyl)-6-fluoro-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl]-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl}oxy)acetamide |
| Formula: | C23 H21 F N4 O6 S |
| Formal charge: | 0 |
| Formula weight: | 500.499 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-({3-[1-(2-cyclopropylethyl)-6-fluoro-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl]-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl}oxy)acetamide |
| OpenEye OEToolkits | 1.7.6 | 2-[[3-[1-(2-cyclopropylethyl)-6-fluoranyl-4-oxidanyl-2-oxidanylidene-quinolin-3-yl]-1,1-bis(oxidanylidene)-4H-1$l^{6},2,4-benzothiadiazin-7-yl]oxy]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c15c(C(O)=C(C(=O)N1CCC2CC2)C4=NS(c3cc(ccc3N4)OCC(=O)N)(=O)=O)cc(cc5)F |
| InChI | InChI | 1.03 | InChI=1S/C23H21FN4O6S/c24-13-3-6-17-15(9-13)21(30)20(23(31)28(17)8-7-12-1-2-12)22-26-16-5-4-14(34-11-19(25)29)10-18(16)35(32,33)27-22/h3-6,9-10,12,30H,1-2,7-8,11H2,(H2,25,29)(H,26,27) |
| InChIKey | InChI | 1.03 | KGIYADYGSQVIFX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)COc1ccc2NC(=N[S](=O)(=O)c2c1)C3=C(O)c4cc(F)ccc4N(CCC5CC5)C3=O |
| SMILES | CACTVS | 3.385 | NC(=O)COc1ccc2NC(=N[S](=O)(=O)c2c1)C3=C(O)c4cc(F)ccc4N(CCC5CC5)C3=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1OCC(=O)N)S(=O)(=O)N=C(N2)C3=C(c4cc(ccc4N(C3=O)CCC5CC5)F)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1OCC(=O)N)S(=O)(=O)N=C(N2)C3=C(c4cc(ccc4N(C3=O)CCC5CC5)F)O |
