1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-(2-methylphenyl)sulfanylethanoate

Systemtic Name: 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-(2-methylphenyl)sulfanylethanoate Openeye Name: 1-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]ethyl 2-(o-tolylsulfanyl)acetate CAS Name: 2-[(2-methylphenyl)thio]acetic 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-(2-methylphenyl)sulfanylacetate Traditional Name: 2-(o-tolylthio)acetic acid 1-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]ethyl ester Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)OC(C)C2=NC(=NO2)C3=CN=CC=C3

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)OC(C)C2=NC(=NO2)C3=CN=CC=C3

InChI

InChI=1S/C18H17N3O3S/c1-12-6-3-4-8-15(12)25-11-16(22)23-13(2)18-20-17(21-24-18)14-7-5-9-19-10-14/h3-10,13H,11H2,1-2H3