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

Systemtic Name: methyl (2S)-2-[[(E)-3-(3-chloranyl-4-fluoranyl-phenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[(E)-3-(3-chloro-4-fluoro-phenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(E)-3-(3-chloro-4-fluorophenyl)-1-oxoprop-2-enyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[(E)-3-(3-chloro-4-fluoro-phenyl)acryloyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C15H17ClFNO3S MolecularWeight: 345.816783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17ClFNO3S/c1-21-15(20)13(7-8-22-2)18-14(19)6-4-10-3-5-12(17)11(16)9-10/h3-6,9,13H,7-8H2,1-2H3,(H,18,19)/b6-4+/t13-/m0/s1