[2-[(2-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] (E)-3-(5-bromanylthiophen-2-yl)prop-2-enoate

Systemtic Name: [2-[(2-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] (E)-3-(5-bromanylthiophen-2-yl)prop-2-enoate Openeye Name: [2-[(2-fluorophenyl)methylamino]-2-oxo-ethyl] (E)-3-(5-bromo-2-thienyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-thiophenyl)-2-propenoic acid [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (E)-3-(5-bromothiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-thienyl)acrylic acid [2-[(2-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C16H13BrFNO3S MolecularWeight: 398.246723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)COC(=O)C=CC2=CC=C(S2)Br)F

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)COC(=O)/C=C/C2=CC=C(S2)Br)F

InChI

InChI=1S/C16H13BrFNO3S/c17-14-7-5-12(23-14)6-8-16(21)22-10-15(20)19-9-11-3-1-2-4-13(11)18/h1-8H,9-10H2,(H,19,20)/b8-6+