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

Systemtic Name: 3-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-4-methyl-benzoic acid Openeye Name: 3-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-4-methyl-benzoic acid CAS Name: 3-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-4-methylbenzoic acid IUPAC Name: 3-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-4-methylbenzoic acid Traditional Name: 3-[(3-m-anisyl-1,2,4-thiadiazol-5-yl)oxy]-4-methyl-benzoic acid Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)OC2=NC(=NS2)CC3=CC(=CC=C3)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)OC2=NC(=NS2)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C18H16N2O4S/c1-11-6-7-13(17(21)22)10-15(11)24-18-19-16(20-25-18)9-12-4-3-5-14(8-12)23-2/h3-8,10H,9H2,1-2H3,(H,21,22)