4-[5-(4-carboxylato-3-methyl-phenyl)-1,3,4-thiadiazol-2-yl]-2-methyl-benzoate

Systemtic Name: 4-[5-(4-carboxylato-3-methyl-phenyl)-1,3,4-thiadiazol-2-yl]-2-methyl-benzoate Openeye Name: 4-[5-(4-carboxylato-3-methyl-phenyl)-1,3,4-thiadiazol-2-yl]-2-methyl-benzoate CAS Name: 4-[5-(4-carboxylato-3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzoate IUPAC Name: 4-[5-(4-carboxylato-3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzoate Traditional Name: 4-[5-(4-carboxylato-3-methyl-phenyl)-1,3,4-thiadiazol-2-yl]-2-methyl-benzoate Formula: C18H12N2O4S-2 MolecularWeight: 352.36388

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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)/p-2