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

Systemtic Name: methyl (2S)-2-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(E)-3-(4-bromophenyl)-1-oxoprop-2-enyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[(E)-3-(4-bromophenyl)acryloyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C15H18BrNO3S MolecularWeight: 372.27732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18BrNO3S/c1-20-15(19)13(9-10-21-2)17-14(18)8-5-11-3-6-12(16)7-4-11/h3-8,13H,9-10H2,1-2H3,(H,17,18)/b8-5+/t13-/m0/s1