2-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(E)-3-(4-bromophenyl)-1-oxoprop-2-enyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[(E)-3-(4-bromophenyl)acryloyl]amino]-4-(methylthio)butyric acid Formula: C14H16BrNO3S MolecularWeight: 358.25074

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C=CC1=CC=C(C=C1)Br

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)/C=C/C1=CC=C(C=C1)Br

InChI

InChI=1S/C14H16BrNO3S/c1-20-9-8-12(14(18)19)16-13(17)7-4-10-2-5-11(15)6-3-10/h2-7,12H,8-9H2,1H3,(H,16,17)(H,18,19)/b7-4+