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

Systemtic Name: 4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3,4-dimethoxybenzoate Openeye Name: 4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid 4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester IUPAC Name: 4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid 4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester Formula: C21H17N3O7S MolecularWeight: 455.44058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC#CCSC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC#CCSC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H17N3O7S/c1-28-17-10-7-15(13-18(17)29-2)20(25)30-11-3-4-12-32-21-23-22-19(31-21)14-5-8-16(9-6-14)24(26)27/h5-10,13H,11-12H2,1-2H3