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

Systemtic Name: (E)-N-(1,3-benzothiazol-2-ylmethyl)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enamide Openeye Name: (E)-N-(1,3-benzothiazol-2-ylmethyl)-3-(5-bromo-2-fluoro-phenyl)prop-2-enamide CAS Name: (E)-N-(1,3-benzothiazol-2-ylmethyl)-3-(5-bromo-2-fluorophenyl)-2-propenamide IUPAC Name: (E)-N-(1,3-benzothiazol-2-ylmethyl)-3-(5-bromo-2-fluorophenyl)prop-2-enamide Traditional Name: (E)-N-(1,3-benzothiazol-2-ylmethyl)-3-(5-bromo-2-fluoro-phenyl)acrylamide Formula: C17H12BrFN2OS MolecularWeight: 391.257383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12BrFN2OS/c18-12-6-7-13(19)11(9-12)5-8-16(22)20-10-17-21-14-3-1-2-4-15(14)23-17/h1-9H,10H2,(H,20,22)/b8-5+