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

Systemtic Name: 3-[4-[5-(3-cyano-4-thiophen-2-yl-phenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-phenyl]propanoic acid Openeye Name: 3-[4-[5-[3-cyano-4-(2-thienyl)phenyl]-1,3,4-thiadiazol-2-yl]-3-methyl-phenyl]propanoic acid CAS Name: 3-[4-[5-(3-cyano-4-thiophen-2-ylphenyl)-1,3,4-thiadiazol-2-yl]-3-methylphenyl]propanoic acid IUPAC Name: 3-[4-[5-(3-cyano-4-thiophen-2-ylphenyl)-1,3,4-thiadiazol-2-yl]-3-methylphenyl]propanoic acid Traditional Name: 3-[4-[5-[3-cyano-4-(2-thienyl)phenyl]-1,3,4-thiadiazol-2-yl]-3-methyl-phenyl]propionic acid Formula: C23H17N3O2S2 MolecularWeight: 431.52998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CCC(=O)O)C2=NN=C(S2)C3=CC(=C(C=C3)C4=CC=CS4)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)CCC(=O)O)C2=NN=C(S2)C3=CC(=C(C=C3)C4=CC=CS4)C#N

InChI

InChI=1S/C23H17N3O2S2/c1-14-11-15(5-9-21(27)28)4-7-18(14)23-26-25-22(30-23)16-6-8-19(17(12-16)13-24)20-3-2-10-29-20/h2-4,6-8,10-12H,5,9H2,1H3,(H,27,28)