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

Systemtic Name: 3-[4-[5-(4-butan-2-yloxy-3-cyano-phenyl)-1,2,4-thiadiazol-3-yl]-3-methyl-phenyl]propanoic acid Openeye Name: 3-[4-[5-(3-cyano-4-sec-butoxy-phenyl)-1,2,4-thiadiazol-3-yl]-3-methyl-phenyl]propanoic acid CAS Name: 3-[4-[5-(4-butan-2-yloxy-3-cyanophenyl)-1,2,4-thiadiazol-3-yl]-3-methylphenyl]propanoic acid IUPAC Name: 3-[4-[5-(4-butan-2-yloxy-3-cyanophenyl)-1,2,4-thiadiazol-3-yl]-3-methylphenyl]propanoic acid Traditional Name: 3-[4-[5-(3-cyano-4-sec-butoxy-phenyl)-1,2,4-thiadiazol-3-yl]-3-methyl-phenyl]propionic acid Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=C(C=C(C=C1)C2=NC(=NS2)C3=C(C=C(C=C3)CCC(=O)O)C)C#N

Isomeric SMILES

CCC(C)OC1=C(C=C(C=C1)C2=NC(=NS2)C3=C(C=C(C=C3)CCC(=O)O)C)C#N

InChI

InChI=1S/C23H23N3O3S/c1-4-15(3)29-20-9-7-17(12-18(20)13-24)23-25-22(26-30-23)19-8-5-16(11-14(19)2)6-10-21(27)28/h5,7-9,11-12,15H,4,6,10H2,1-3H3,(H,27,28)