7GF
Summary
| Name: | methyl (2Z)-3-azanyl-2-[3-(4-bromophenyl)-4-oxidanylidene-1,3-thiazolidin-2-ylidene]propanoate |
| Formula: | C13 H13 Br N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 357.223 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | methyl (2~{Z})-3-azanyl-2-[3-(4-bromophenyl)-4-oxidanylidene-1,3-thiazolidin-2-ylidene]propanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H13BrN2O3S/c1-19-13(18)10(6-15)12-16(11(17)7-20-12)9-4-2-8(14)3-5-9/h2-5H,6-7,15H2,1H3/b12-10- |
| InChIKey | InChI | 1.03 | UEDYOLMWFOHHRV-BENRWUELSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)C(/CN)=C/1SCC(=O)N/1c2ccc(Br)cc2 |
| SMILES | CACTVS | 3.385 | COC(=O)C(CN)=C1SCC(=O)N1c2ccc(Br)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COC(=O)/C(=C\1/N(C(=O)CS1)c2ccc(cc2)Br)/CN |
| SMILES | OpenEye OEToolkits | 2.0.6 | COC(=O)C(=C1N(C(=O)CS1)c2ccc(cc2)Br)CN |
