A1D9I
Summary
| Name: | 4-[4-(7-fluoranyl-1H-indol-3-yl)thiophen-2-yl]-4-oxidanylidene-butanoic acid |
| Synonyms: | SCHEMBL23330381 |
| Formula: | C16 H12 F N O3 S |
| Formal charge: | 0 |
| Formula weight: | 317.335 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[4-(7-fluoranyl-1~{H}-indol-3-yl)thiophen-2-yl]-4-oxidanylidene-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H12FNO3S/c17-12-3-1-2-10-11(7-18-16(10)12)9-6-14(22-8-9)13(19)4-5-15(20)21/h1-3,6-8,18H,4-5H2,(H,20,21) |
| InChIKey | InChI | 1.06 | RRFCNGVALXBCPS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCC(=O)c1scc(c1)c2c[nH]c3c(F)cccc23 |
| SMILES | CACTVS | 3.385 | OC(=O)CCC(=O)c1scc(c1)c2c[nH]c3c(F)cccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(c[nH]c2c(c1)F)c3cc(sc3)C(=O)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(c[nH]c2c(c1)F)c3cc(sc3)C(=O)CCC(=O)O |
