4-[[5-(2,2-dimethylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate

Systemtic Name: 4-[[5-(2,2-dimethylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: 4-[[5-(2,2-dimethylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-[(2,2-dimethyl-1-oxopropyl)amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoate IUPAC Name: 4-[[5-(2,2-dimethylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-(pivaloylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzoate Formula: C15H16N3O3S2- MolecularWeight: 350.43584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=NN=C(S1)SCC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)NC1=NN=C(S1)SCC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C15H17N3O3S2/c1-15(2,3)12(21)16-13-17-18-14(23-13)22-8-9-4-6-10(7-5-9)11(19)20/h4-7H,8H2,1-3H3,(H,19,20)(H,16,17,21)/p-1