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

Systemtic Name: 4-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3-methylbenzoate Openeye Name: 4-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3-methylbenzoate CAS Name: 3-methylbenzoic 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 3-methylbenzoate Traditional Name: 3-methylbenzoic acid 4-[(5-p-phenetyl-1,3,4-oxadiazol-2-yl)thio]but-2-ynyl ester Formula: C22H20N2O4S MolecularWeight: 408.4702

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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)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(O2)SCC#CCOC(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C22H20N2O4S/c1-3-26-19-11-9-17(10-12-19)20-23-24-22(28-20)29-14-5-4-13-27-21(25)18-8-6-7-16(2)15-18/h6-12,15H,3,13-14H2,1-2H3