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

Systemtic Name: 3-[4-[5-(3-cyano-4-ethoxy-phenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-phenyl]propanoic acid Openeye Name: 3-[4-[5-(3-cyano-4-ethoxy-phenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-phenyl]propanoic acid CAS Name: 3-[4-[5-(3-cyano-4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-methylphenyl]propanoic acid IUPAC Name: 3-[4-[5-(3-cyano-4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-methylphenyl]propanoic acid Traditional Name: 3-[4-[5-(3-cyano-4-ethoxy-phenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-phenyl]propionic acid Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NN=C(S2)C3=C(C=C(C=C3)CCC(=O)O)C)C#N

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NN=C(S2)C3=C(C=C(C=C3)CCC(=O)O)C)C#N

InChI

InChI=1S/C21H19N3O3S/c1-3-27-18-8-6-15(11-16(18)12-22)20-23-24-21(28-20)17-7-4-14(10-13(17)2)5-9-19(25)26/h4,6-8,10-11H,3,5,9H2,1-2H3,(H,25,26)