[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate

Systemtic Name: [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [5-(2-furyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid [5-(2-furanyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [5-(2-furyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C16H13BrN2O4S MolecularWeight: 409.25442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)OCC2=NN=C(O2)C3=CC=CO3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)OCC2=NN=C(O2)C3=CC=CO3

InChI

InChI=1S/C16H13BrN2O4S/c1-10-7-11(17)4-5-13(10)24-9-15(20)22-8-14-18-19-16(23-14)12-3-2-6-21-12/h2-7H,8-9H2,1H3