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

Systemtic Name: 4-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-nitrobenzoate Openeye Name: 4-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-nitrobenzoate CAS Name: 2-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 2-nitrobenzoate Traditional Name: 2-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=CC=C3[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O6S/c1-2-28-16-11-9-15(10-12-16)19-22-23-21(30-19)31-14-6-5-13-29-20(25)17-7-3-4-8-18(17)24(26)27/h3-4,7-12H,2,13-14H2,1H3