4-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-nitrobenzoate

Systemtic Name: 4-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-nitrobenzoate Openeye Name: 4-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 4-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester IUPAC Name: 4-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 4-[(5-p-phenetyl-1,3,4-oxadiazol-2-yl)thio]but-2-ynyl ester Formula: C21H17N3O6S MolecularWeight: 439.44118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN=C(O2)SCC#CCOC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(O2)SCC#CCOC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O6S/c1-2-28-18-11-7-15(8-12-18)19-22-23-21(30-19)31-14-4-3-13-29-20(25)16-5-9-17(10-6-16)24(26)27/h5-12H,2,13-14H2,1H3