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

Systemtic Name: 4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-methoxybenzoate Openeye Name: 4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-methoxybenzoate CAS Name: 2-methoxybenzoic acid 4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester IUPAC Name: 4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-methoxybenzoate Traditional Name: 2-methoxybenzoic acid 4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester Formula: C20H15ClN2O4S MolecularWeight: 414.8621

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)OCC#CCSC2=NN=C(O2)C3=CC(=CC=C3)Cl

Isomeric SMILES

COC1=CC=CC=C1C(=O)OCC#CCSC2=NN=C(O2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H15ClN2O4S/c1-25-17-10-3-2-9-16(17)19(24)26-11-4-5-12-28-20-23-22-18(27-20)14-7-6-8-15(21)13-14/h2-3,6-10,13H,11-12H2,1H3