methyl (2S)-2-[[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[(E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(E)-3-(5-bromo-2-fluorophenyl)-1-oxoprop-2-enyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(E)-3-(5-bromo-2-fluorophenyl)prop-2-enoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[(E)-3-(5-bromo-2-fluoro-phenyl)acryloyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C15H17BrFNO3S MolecularWeight: 390.267783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)/C=C/C1=C(C=CC(=C1)Br)F

InChI

InChI=1S/C15H17BrFNO3S/c1-21-15(20)13(7-8-22-2)18-14(19)6-3-10-9-11(16)4-5-12(10)17/h3-6,9,13H,7-8H2,1-2H3,(H,18,19)/b6-3+/t13-/m0/s1