3-[4-[5-(4-ethoxy-3-ethyl-phenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-phenyl]propanoic acid

Systemtic Name: 3-[4-[5-(4-ethoxy-3-ethyl-phenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-phenyl]propanoic acid Openeye Name: 3-[4-[5-(4-ethoxy-3-ethyl-phenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-phenyl]propanoic acid CAS Name: 3-[4-[5-(4-ethoxy-3-ethylphenyl)-1,3,4-thiadiazol-2-yl]-3-methylphenyl]propanoic acid IUPAC Name: 3-[4-[5-(4-ethoxy-3-ethylphenyl)-1,3,4-thiadiazol-2-yl]-3-methylphenyl]propanoic acid Traditional Name: 3-[4-[5-(4-ethoxy-3-ethyl-phenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-phenyl]propionic acid Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C2=NN=C(S2)C3=C(C=C(C=C3)CCC(=O)O)C)OCC

Isomeric SMILES

CCC1=C(C=CC(=C1)C2=NN=C(S2)C3=C(C=C(C=C3)CCC(=O)O)C)OCC

InChI

InChI=1S/C22H24N2O3S/c1-4-16-13-17(8-10-19(16)27-5-2)21-23-24-22(28-21)18-9-6-15(12-14(18)3)7-11-20(25)26/h6,8-10,12-13H,4-5,7,11H2,1-3H3,(H,25,26)