BY8
Summary
| Name: | (3~{R})-8-cyclopropyl-7-[(4-methylnaphthalen-1-yl)methyl]-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid |
| Formula: | C23 H21 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 391.483 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (3~{R})-8-cyclopropyl-7-[(4-methylnaphthalen-1-yl)methyl]-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C23H21NO3S/c1-13-6-7-15(18-5-3-2-4-17(13)18)10-16-11-20(25)24-19(23(26)27)12-28-22(24)21(16)14-8-9-14/h2-7,11,14,19H,8-10,12H2,1H3,(H,26,27)/t19-/m0/s1 |
| InChIKey | InChI | 1.03 | XQPUCYFOBBJYCO-IBGZPJMESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(CC2=CC(=O)N3[C@@H](CSC3=C2C4CC4)C(O)=O)c5ccccc15 |
| SMILES | CACTVS | 3.385 | Cc1ccc(CC2=CC(=O)N3[CH](CSC3=C2C4CC4)C(O)=O)c5ccccc15 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ccc(c2c1cccc2)CC3=CC(=O)N4[C@@H](CSC4=C3C5CC5)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccc(c2c1cccc2)CC3=CC(=O)N4C(CSC4=C3C5CC5)C(=O)O |
