5-(4-methoxyphenyl)-3-(3-sulfanylpropanoyl)-2H-1,3,4-thiadiazole-2-carboxylic acid

Systemtic Name: 5-(4-methoxyphenyl)-3-(3-sulfanylpropanoyl)-2H-1,3,4-thiadiazole-2-carboxylic acid Openeye Name: 5-(4-methoxyphenyl)-3-(3-sulfanylpropanoyl)-2H-1,3,4-thiadiazole-2-carboxylic acid CAS Name: 3-(3-mercapto-1-oxopropyl)-5-(4-methoxyphenyl)-2H-1,3,4-thiadiazole-2-carboxylic acid IUPAC Name: 5-(4-methoxyphenyl)-3-(3-sulfanylpropanoyl)-2H-1,3,4-thiadiazole-2-carboxylic acid Traditional Name: 3-(3-mercaptopropanoyl)-5-(4-methoxyphenyl)-2H-1,3,4-thiadiazole-2-carboxylic acid Formula: C13H14N2O4S2 MolecularWeight: 326.39126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(S2)C(=O)O)C(=O)CCS

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(S2)C(=O)O)C(=O)CCS

InChI

InChI=1S/C13H14N2O4S2/c1-19-9-4-2-8(3-5-9)11-14-15(10(16)6-7-20)12(21-11)13(17)18/h2-5,12,20H,6-7H2,1H3,(H,17,18)