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

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)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-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C16H13BrN2O3S2 MolecularWeight: 425.32002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrN2O3S2/c1-10-6-12(17)2-3-13(10)24-9-15(20)21-7-14-18-16(19-22-14)11-4-5-23-8-11/h2-6,8H,7,9H2,1H3