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

Systemtic Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Openeye Name: [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl 2-[2-(isopropylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]benzoic acid (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Traditional Name: 2-[[2-(isopropylamino)-2-keto-ethyl]thio]benzoic acid [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C19H19N3O4S2 MolecularWeight: 417.50186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)OCC2=NC(=NO2)C3=CC=CS3

Isomeric SMILES

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)OCC2=NC(=NO2)C3=CC=CS3

InChI

InChI=1S/C19H19N3O4S2/c1-12(2)20-16(23)11-28-14-7-4-3-6-13(14)19(24)25-10-17-21-18(22-26-17)15-8-5-9-27-15/h3-9,12H,10-11H2,1-2H3,(H,20,23)