4-[5-(4-carboxy-3-methyl-phenyl)-1,3,4-thiadiazol-2-yl]-2-methyl-benzoic acid

Systemtic Name: 4-[5-(4-carboxy-3-methyl-phenyl)-1,3,4-thiadiazol-2-yl]-2-methyl-benzoic acid Openeye Name: 4-[5-(4-carboxy-3-methyl-phenyl)-1,3,4-thiadiazol-2-yl]-2-methyl-benzoic acid CAS Name: 4-[5-(4-carboxy-3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzoic acid IUPAC Name: 4-[5-(4-carboxy-3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzoic acid Traditional Name: 4-[5-(4-carboxy-3-methyl-phenyl)-1,3,4-thiadiazol-2-yl]-2-methyl-benzoic acid Formula: C18H14N2O4S MolecularWeight: 354.37976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NN=C(S2)C3=CC(=C(C=C3)C(=O)O)C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NN=C(S2)C3=CC(=C(C=C3)C(=O)O)C)C(=O)O

InChI

InChI=1S/C18H14N2O4S/c1-9-7-11(3-5-13(9)17(21)22)15-19-20-16(25-15)12-4-6-14(18(23)24)10(2)8-12/h3-8H,1-2H3,(H,21,22)(H,23,24)