[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] (E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-fluorophenyl)-2-propenoic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] (E)-3-(5-bromo-2-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-fluoro-phenyl)acrylic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C18H15BrFNO3S MolecularWeight: 424.284003

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)COC(=O)C=CC2=C(C=CC(=C2)Br)F

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)COC(=O)/C=C/C2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C18H15BrFNO3S/c1-25-15-4-2-3-14(10-15)21-17(22)11-24-18(23)8-5-12-9-13(19)6-7-16(12)20/h2-10H,11H2,1H3,(H,21,22)/b8-5+