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

Systemtic Name: 4-[2-[[5-(2-methylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethoxy]benzoate Openeye Name: 4-[2-[[5-(2-methylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethoxy]benzoate CAS Name: 4-[2-[[5-[(2-methyl-1-oxopropyl)amino]-1,3,4-thiadiazol-2-yl]thio]ethoxy]benzoate IUPAC Name: 4-[2-[[5-(2-methylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethoxy]benzoate Traditional Name: 4-[2-[[5-(isobutyrylamino)-1,3,4-thiadiazol-2-yl]thio]ethoxy]benzoate Formula: C15H16N3O4S2- MolecularWeight: 366.43524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=NN=C(S1)SCCOC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CC(C)C(=O)NC1=NN=C(S1)SCCOC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C15H17N3O4S2/c1-9(2)12(19)16-14-17-18-15(24-14)23-8-7-22-11-5-3-10(4-6-11)13(20)21/h3-6,9H,7-8H2,1-2H3,(H,20,21)(H,16,17,19)/p-1