quinolin-8-ylmethyl 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate

Systemtic Name: quinolin-8-ylmethyl 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate Openeye Name: 8-quinolylmethyl 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate CAS Name: 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylthio]benzoic acid 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate Traditional Name: 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylthio]benzoic acid 8-quinolylmethyl ester Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=N1)CSC2=CC=CC=C2C(=O)OCC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC1=NOC(=N1)CSC2=CC=CC=C2C(=O)OCC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C21H17N3O3S/c1-14-23-19(27-24-14)13-28-18-10-3-2-9-17(18)21(25)26-12-16-7-4-6-15-8-5-11-22-20(15)16/h2-11H,12-13H2,1H3