A1JGK
Summary
| Name: | (4~{R})-~{N}-[2-(1-benzothiophen-3-yl)ethyl]-7-fluoranyl-2-oxidanylidene-3,4-dihydro-1~{H}-quinoline-4-carboxamide |
| Formula: | C20 H17 F N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 368.425 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (4~{R})-~{N}-[2-(1-benzothiophen-3-yl)ethyl]-7-fluoranyl-2-oxidanylidene-3,4-dihydro-1~{H}-quinoline-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H17FN2O2S/c21-13-5-6-15-16(10-19(24)23-17(15)9-13)20(25)22-8-7-12-11-26-18-4-2-1-3-14(12)18/h1-6,9,11,16H,7-8,10H2,(H,22,25)(H,23,24)/t16-/m1/s1 |
| InChIKey | InChI | 1.06 | LVJKCNKRPTXXRR-MRXNPFEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc2[C@@H](CC(=O)Nc2c1)C(=O)NCCc3csc4ccccc34 |
| SMILES | CACTVS | 3.385 | Fc1ccc2[CH](CC(=O)Nc2c1)C(=O)NCCc3csc4ccccc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(cs2)CCNC(=O)[C@@H]3CC(=O)Nc4c3ccc(c4)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(cs2)CCNC(=O)C3CC(=O)Nc4c3ccc(c4)F |
