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

Systemtic Name: 2-[[5-(2,2-dimethylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 2-[[5-(2,2-dimethylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoic acid CAS Name: 2-[[[5-[(2,2-dimethyl-1-oxopropyl)amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid IUPAC Name: 2-[[5-(2,2-dimethylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 2-[[[5-(pivaloylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid Formula: C15H17N3O3S2 MolecularWeight: 351.44378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=NN=C(S1)SCC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC(C)(C)C(=O)NC1=NN=C(S1)SCC2=CC=CC=C2C(=O)O

InChI

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