(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-(2-oxidanylidenepropylsulfanyl)benzoate

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-(2-oxidanylidenepropylsulfanyl)benzoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 2-acetonylsulfanylbenzoate CAS Name: 2-(2-oxopropylthio)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-oxopropylsulfanyl)benzoate Traditional Name: 2-(acetonylthio)benzoic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C17H14N2O4S2 MolecularWeight: 374.43406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O4S2/c1-11(20)9-25-14-5-3-2-4-13(14)17(21)22-8-15-18-16(19-23-15)12-6-7-24-10-12/h2-7,10H,8-9H2,1H3