YU0
Summary
| Name: | 3-[4-[(azanyl-methyl-oxidanyl-$l^{4}-sulfanyl)methyl]-3-fluoranyl-phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid |
| Formula: | C20 H23 F N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 390.472 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[4-[(azanyl-methyl-oxidanyl-$l^{4}-sulfanyl)methyl]-3-fluoranyl-phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H23FN2O3S/c1-11(2)14-5-4-6-15-17(19(20(24)25)23-18(14)15)12-7-8-13(16(21)9-12)10-27(3,22)26/h4-9,11,23,26H,10,22H2,1-3H3,(H,24,25) |
| InChIKey | InChI | 1.06 | MQEDGVPPDOWGOB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1cccc2c1[nH]c(C(O)=O)c2c3ccc(C[S@@](C)(N)O)c(F)c3 |
| SMILES | CACTVS | 3.385 | CC(C)c1cccc2c1[nH]c(C(O)=O)c2c3ccc(C[S](C)(N)O)c(F)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)c1cccc2c1[nH]c(c2c3ccc(c(c3)F)C[S@@](C)(N)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)c1cccc2c1[nH]c(c2c3ccc(c(c3)F)CS(C)(N)O)C(=O)O |
