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

Systemtic Name: [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [5-(2-furyl)isoxazol-3-yl]methyl 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid [5-(2-furanyl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [5-(2-furyl)isoxazol-3-yl]methyl ester Formula: C17H14BrNO4S MolecularWeight: 408.26636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)OCC2=NOC(=C2)C3=CC=CO3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)OCC2=NOC(=C2)C3=CC=CO3

InChI

InChI=1S/C17H14BrNO4S/c1-11-7-12(18)4-5-16(11)24-10-17(20)22-9-13-8-15(23-19-13)14-3-2-6-21-14/h2-8H,9-10H2,1H3