A1LU0
Summary
| Name: | 2-[(2~{Z})-2-(3-ethynylphenyl)imino-4-oxidanylidene-1,3-thiazolidin-5-ylidene]ethanoic acid |
| Formula: | C13 H8 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 272.279 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[(2~{Z})-2-(3-ethynylphenyl)imino-4-oxidanylidene-1,3-thiazolidin-5-ylidene]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H8N2O3S/c1-2-8-4-3-5-9(6-8)14-13-15-12(18)10(19-13)7-11(16)17/h1,3-7H,(H,16,17)(H,14,15,18) |
| InChIKey | InChI | 1.06 | GQXBNBYNTFWKFU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)\C=C1/SC(NC1=O)=Nc2cccc(c2)C#C |
| SMILES | CACTVS | 3.385 | OC(=O)C=C1SC(NC1=O)=Nc2cccc(c2)C#C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C#Cc1cccc(c1)/N=C\2/NC(=O)C(=CC(=O)O)S2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | C#Cc1cccc(c1)N=C2NC(=O)C(=CC(=O)O)S2 |
