[2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(5-bromanylthiophen-2-yl)prop-2-enoate

Systemtic Name: [2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(5-bromanylthiophen-2-yl)prop-2-enoate Openeye Name: [2-(3-fluoro-4-methyl-anilino)-2-oxo-ethyl] (E)-3-(5-bromo-2-thienyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-thiophenyl)-2-propenoic acid [2-(3-fluoro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methylanilino)-2-oxoethyl] (E)-3-(5-bromothiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-thienyl)acrylic acid [2-(3-fluoro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C16H13BrFNO3S MolecularWeight: 398.246723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C=CC2=CC=C(S2)Br)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)/C=C/C2=CC=C(S2)Br)F

InChI

InChI=1S/C16H13BrFNO3S/c1-10-2-3-11(8-13(10)18)19-15(20)9-22-16(21)7-5-12-4-6-14(17)23-12/h2-8H,9H2,1H3,(H,19,20)/b7-5+