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

Systemtic Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Openeye Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[2-(isopropylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(propan-2-ylamino)ethyl]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-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Traditional Name: 2-[[2-(isopropylamino)-2-keto-ethyl]thio]benzoic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S/c1-14(2)22-18(25)13-29-17-11-7-6-10-16(17)21(26)27-12-19-23-24-20(28-19)15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,22,25)