F4W
Summary
| Name: | 3-(12-oxidanylidene-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl)propanoic acid |
| Formula: | C12 H12 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 264.3 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-(12-oxidanylidene-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H12N2O3S/c15-9(16)5-4-8-13-11(17)10-6-2-1-3-7(6)18-12(10)14-8/h1-5H2,(H,15,16)(H,13,14,17) |
| InChIKey | InChI | 1.03 | XKPJAYXICQQVTD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCC1=Nc2sc3CCCc3c2C(=O)N1 |
| SMILES | CACTVS | 3.385 | OC(=O)CCC1=Nc2sc3CCCc3c2C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1Cc2c(sc3c2C(=O)NC(=N3)CCC(=O)O)C1 |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1Cc2c(sc3c2C(=O)NC(=N3)CCC(=O)O)C1 |
