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

Systemtic Name: [3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [3-(2-ethoxyphenyl)-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-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(2-ethoxyphenyl)-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-o-phenetyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C20H19BrN2O4S MolecularWeight: 463.34486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NOC(=N2)COC(=O)CSC3=C(C=C(C=C3)Br)C

Isomeric SMILES

CCOC1=CC=CC=C1C2=NOC(=N2)COC(=O)CSC3=C(C=C(C=C3)Br)C

InChI

InChI=1S/C20H19BrN2O4S/c1-3-25-16-7-5-4-6-15(16)20-22-18(27-23-20)11-26-19(24)12-28-17-9-8-14(21)10-13(17)2/h4-10H,3,11-12H2,1-2H3