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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16BrNO3S/c1-20-8-7-12(14(18)19)16-13(17)6-5-10-3-2-4-11(15)9-10/h2-6,9,12H,7-8H2,1H3,(H,16,17)(H,18,19)/b6-5+