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

Systemtic Name: 5-tert-butyl-3-(3-sulfanylpropanoyl)-2H-1,3,4-thiadiazole-2-carboxylic acid Openeye Name: 5-tert-butyl-3-(3-sulfanylpropanoyl)-2H-1,3,4-thiadiazole-2-carboxylic acid CAS Name: 5-tert-butyl-3-(3-mercapto-1-oxopropyl)-2H-1,3,4-thiadiazole-2-carboxylic acid IUPAC Name: 5-tert-butyl-3-(3-sulfanylpropanoyl)-2H-1,3,4-thiadiazole-2-carboxylic acid Traditional Name: 5-tert-butyl-3-(3-mercaptopropanoyl)-2H-1,3,4-thiadiazole-2-carboxylic acid Formula: C10H16N2O3S2 MolecularWeight: 276.37564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(S1)C(=O)O)C(=O)CCS

Isomeric SMILES

CC(C)(C)C1=NN(C(S1)C(=O)O)C(=O)CCS

InChI

InChI=1S/C10H16N2O3S2/c1-10(2,3)9-11-12(6(13)4-5-16)7(17-9)8(14)15/h7,16H,4-5H2,1-3H3,(H,14,15)