1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-methyl-5-methylsulfonyl-benzoate Openeye Name: 1-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]ethyl 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid 1-[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl ester IUPAC Name: 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid 1-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]ethyl ester Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OC(C)C2=NC(=NO2)C3=CN=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OC(C)C2=NC(=NO2)C3=CN=CC=C3

InChI

InChI=1S/C18H17N3O5S/c1-11-6-7-14(27(3,23)24)9-15(11)18(22)25-12(2)17-20-16(21-26-17)13-5-4-8-19-10-13/h4-10,12H,1-3H3