(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-(2,4-dimethylphenyl)sulfanylethanoate

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-(2,4-dimethylphenyl)sulfanylethanoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,4-dimethylphenyl)thio]acetic 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-(2,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,4-dimethylphenyl)thio]acetic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C17H16N2O3S2 MolecularWeight: 360.45054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC(=O)OCC2=NC(=NO2)C3=CSC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC(=O)OCC2=NC(=NO2)C3=CSC=C3)C

InChI

InChI=1S/C17H16N2O3S2/c1-11-3-4-14(12(2)7-11)24-10-16(20)21-8-15-18-17(19-22-15)13-5-6-23-9-13/h3-7,9H,8,10H2,1-2H3