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

Systemtic Name: 2-[[5-(2-methylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: 2-[[5-(2-methylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 2-[[[5-[(2-methyl-1-oxopropyl)amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoate IUPAC Name: 2-[[5-(2-methylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 2-[[[5-(isobutyrylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzoate Formula: C14H14N3O3S2- MolecularWeight: 336.40926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=NN=C(S1)SCC2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

CC(C)C(=O)NC1=NN=C(S1)SCC2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C14H15N3O3S2/c1-8(2)11(18)15-13-16-17-14(22-13)21-7-9-5-3-4-6-10(9)12(19)20/h3-6,8H,7H2,1-2H3,(H,19,20)(H,15,16,18)/p-1