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

Systemtic Name: 3-[4-[5-(3-cyano-4-cyclobutyloxy-phenyl)-1,2,4-thiadiazol-3-yl]-3-methyl-phenyl]propanoic acid Openeye Name: 3-[4-[5-[3-cyano-4-(cyclobutoxy)phenyl]-1,2,4-thiadiazol-3-yl]-3-methyl-phenyl]propanoic acid CAS Name: 3-[4-[5-(3-cyano-4-cyclobutyloxyphenyl)-1,2,4-thiadiazol-3-yl]-3-methylphenyl]propanoic acid IUPAC Name: 3-[4-[5-(3-cyano-4-cyclobutyloxyphenyl)-1,2,4-thiadiazol-3-yl]-3-methylphenyl]propanoic acid Traditional Name: 3-[4-[5-[3-cyano-4-(cyclobutoxy)phenyl]-1,2,4-thiadiazol-3-yl]-3-methyl-phenyl]propionic acid Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CCC(=O)O)C2=NSC(=N2)C3=CC(=C(C=C3)OC4CCC4)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)CCC(=O)O)C2=NSC(=N2)C3=CC(=C(C=C3)OC4CCC4)C#N

InChI

InChI=1S/C23H21N3O3S/c1-14-11-15(6-10-21(27)28)5-8-19(14)22-25-23(30-26-22)16-7-9-20(17(12-16)13-24)29-18-3-2-4-18/h5,7-9,11-12,18H,2-4,6,10H2,1H3,(H,27,28)