butyl 4-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]acetyl]amino]benzoic acid butyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)C3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4S/c1-2-3-13-27-20(26)16-9-11-17(12-10-16)22-18(25)14-29-21-24-23-19(28-21)15-7-5-4-6-8-15/h4-12H,2-3,13-14H2,1H3,(H,22,25)