(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[2-(dimethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(dimethylamino)-2-oxoethyl]thio]benzoic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(dimethylamino)-2-keto-ethyl]thio]benzoic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CSC1=CC=CC=C1C(=O)OCC2=NN=C(O2)C3=CC=CC=C3

Isomeric SMILES

CN(C)C(=O)CSC1=CC=CC=C1C(=O)OCC2=NN=C(O2)C3=CC=CC=C3

InChI

InChI=1S/C20H19N3O4S/c1-23(2)18(24)13-28-16-11-7-6-10-15(16)20(25)26-12-17-21-22-19(27-17)14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3