(E)-N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(5-bromanylthiophen-2-yl)prop-2-enamide

Systemtic Name: (E)-N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(5-bromanylthiophen-2-yl)prop-2-enamide Openeye Name: (E)-N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(5-bromo-2-thienyl)prop-2-enamide CAS Name: (E)-N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(5-bromo-2-thiophenyl)-2-propenamide IUPAC Name: (E)-N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(5-bromothiophen-2-yl)prop-2-enamide Traditional Name: (E)-N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(5-bromo-2-thienyl)acrylamide Formula: C16H12BrF3N2O2S MolecularWeight: 433.24289

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)NC(=O)C=CC2=CC=C(S2)Br)C(F)(F)F

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)NC(=O)/C=C/C2=CC=C(S2)Br)C(F)(F)F

InChI

InChI=1S/C16H12BrF3N2O2S/c1-9(23)21-10-2-5-13(12(8-10)16(18,19)20)22-15(24)7-4-11-3-6-14(17)25-11/h2-8H,1H3,(H,21,23)(H,22,24)/b7-4+