(5-phenyl-1,2-oxazol-3-yl)methyl (E)-3-(5-bromanylthiophen-2-yl)prop-2-enoate

Systemtic Name: (5-phenyl-1,2-oxazol-3-yl)methyl (E)-3-(5-bromanylthiophen-2-yl)prop-2-enoate Openeye Name: (5-phenylisoxazol-3-yl)methyl (E)-3-(5-bromo-2-thienyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-thiophenyl)-2-propenoic acid (5-phenyl-3-isoxazolyl)methyl ester IUPAC Name: (5-phenyl-1,2-oxazol-3-yl)methyl (E)-3-(5-bromothiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-thienyl)acrylic acid (5-phenylisoxazol-3-yl)methyl ester Formula: C17H12BrNO3S MolecularWeight: 390.25108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NO2)COC(=O)C=CC3=CC=C(S3)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NO2)COC(=O)/C=C/C3=CC=C(S3)Br

InChI

InChI=1S/C17H12BrNO3S/c18-16-8-6-14(23-16)7-9-17(20)21-11-13-10-15(22-19-13)12-4-2-1-3-5-12/h1-10H,11H2/b9-7+