2-[[5-[[(4-tert-butylphenyl)carbonylamino]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-[[(4-tert-butylphenyl)carbonylamino]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-[[(4-tert-butylbenzoyl)amino]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-[[[(4-tert-butylphenyl)-oxomethyl]amino]methyl]-1,3,4-oxadiazol-2-yl]thio]acetate IUPAC Name: 2-[[5-[[(4-tert-butylbenzoyl)amino]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-[[(4-tert-butylbenzoyl)amino]methyl]-1,3,4-oxadiazol-2-yl]thio]acetate Formula: C16H18N3O4S- MolecularWeight: 348.39682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=NN=C(O2)SCC(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=NN=C(O2)SCC(=O)[O-]

InChI

InChI=1S/C16H19N3O4S/c1-16(2,3)11-6-4-10(5-7-11)14(22)17-8-12-18-19-15(23-12)24-9-13(20)21/h4-7H,8-9H2,1-3H3,(H,17,22)(H,20,21)/p-1