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

Systemtic Name: 5-[[5-(2,2-dimethylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carboxylate Openeye Name: 5-[[5-(2,2-dimethylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-[[[5-[(2,2-dimethyl-1-oxopropyl)amino]-1,3,4-thiadiazol-2-yl]thio]methyl]-2-thiophenecarboxylate IUPAC Name: 5-[[5-(2,2-dimethylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-[[[5-(pivaloylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-2-thenoate Formula: C13H14N3O3S3- MolecularWeight: 356.46356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=NN=C(S1)SCC2=CC=C(S2)C(=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)NC1=NN=C(S1)SCC2=CC=C(S2)C(=O)[O-]

InChI

InChI=1S/C13H15N3O3S3/c1-13(2,3)10(19)14-11-15-16-12(22-11)20-6-7-4-5-8(21-7)9(17)18/h4-5H,6H2,1-3H3,(H,17,18)(H,14,15,19)/p-1