1,3-benzothiazol-2-ylmethyl (E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoate Openeye Name: 1,3-benzothiazol-2-ylmethyl (E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-fluorophenyl)-2-propenoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (E)-3-(5-bromo-2-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-fluoro-phenyl)acrylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C17H11BrFNO2S MolecularWeight: 392.242143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COC(=O)C=CC3=C(C=CC(=C3)Br)F

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COC(=O)/C=C/C3=C(C=CC(=C3)Br)F

InChI

InChI=1S/C17H11BrFNO2S/c18-12-6-7-13(19)11(9-12)5-8-17(21)22-10-16-20-14-3-1-2-4-15(14)23-16/h1-9H,10H2/b8-5+