(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-bromanyl-5-methoxy-benzoate

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-bromanyl-5-methoxy-benzoate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl 2-bromo-5-methoxy-benzoate CAS Name: 2-bromo-5-methoxybenzoic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-bromo-5-methoxybenzoate Traditional Name: 2-bromo-5-methoxy-benzoic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C16H12BrNO4S MolecularWeight: 394.23978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)OCC2=NOC(=C2)C3=CC=CS3

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)OCC2=NOC(=C2)C3=CC=CS3

InChI

InChI=1S/C16H12BrNO4S/c1-20-11-4-5-13(17)12(8-11)16(19)21-9-10-7-14(22-18-10)15-3-2-6-23-15/h2-8H,9H2,1H3