(E)-3-(5-bromanyl-2-fluoranyl-phenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide

Systemtic Name: (E)-3-(5-bromanyl-2-fluoranyl-phenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-fluoro-phenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide CAS Name: (E)-3-(5-bromo-2-fluorophenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-fluorophenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-fluoro-phenyl)-N-(6-mesyl-1,3-benzothiazol-2-yl)acrylamide Formula: C17H12BrFN2O3S2 MolecularWeight: 455.321183

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C=CC3=C(C=CC(=C3)Br)F

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)/C=C/C3=C(C=CC(=C3)Br)F

InChI

InChI=1S/C17H12BrFN2O3S2/c1-26(23,24)12-4-6-14-15(9-12)25-17(20-14)21-16(22)7-2-10-8-11(18)3-5-13(10)19/h2-9H,1H3,(H,20,21,22)/b7-2+