JL4
Summary
Name: | 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylic acid |
Formula: | C9 H7 N O2 S2 |
Formal charge: | 0 |
Formula weight: | 225.287 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylic acid |
OpenEye OEToolkits | 2.0.6 | 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c2(ccc(c1nc(C)sc1)s2)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C9H7NO2S2/c1-5-10-6(4-13-5)7-2-3-8(14-7)9(11)12/h2-4H,1H3,(H,11,12) |
InChIKey | InChI | 1.03 | AEDWMWQOFJYAGN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1scc(n1)c2sc(cc2)C(O)=O |
SMILES | CACTVS | 3.385 | Cc1scc(n1)c2sc(cc2)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1nc(cs1)c2ccc(s2)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1nc(cs1)c2ccc(s2)C(=O)O |