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

Systemtic Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[2-(2-methoxyethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(2-methoxyethylamino)-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-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(2-methoxyethylamino)ethyl]thio]benzoic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5S/c1-27-12-11-22-18(25)14-30-17-10-6-5-9-16(17)21(26)28-13-19-23-24-20(29-19)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,22,25)