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

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 2-[2-(dimethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(dimethylamino)-2-oxoethyl]thio]benzoic acid [3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(dimethylamino)-2-keto-ethyl]thio]benzoic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C18H17N3O4S2 MolecularWeight: 403.47528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O4S2/c1-21(2)16(22)11-27-14-6-4-3-5-13(14)18(23)24-9-15-19-17(20-25-15)12-7-8-26-10-12/h3-8,10H,9,11H2,1-2H3