2-[[(E)-3-(5-bromanylthiophen-2-yl)prop-2-enoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[(E)-3-(5-bromanylthiophen-2-yl)prop-2-enoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[(E)-3-(5-bromo-2-thienyl)prop-2-enoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[(E)-3-(5-bromo-2-thiophenyl)-1-oxoprop-2-enyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[(E)-3-(5-bromo-2-thienyl)acryloyl]amino]-4-methyl-valeric acid Formula: C13H16BrNO3S MolecularWeight: 346.24004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C=CC1=CC=C(S1)Br

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)/C=C/C1=CC=C(S1)Br

InChI

InChI=1S/C13H16BrNO3S/c1-8(2)7-10(13(17)18)15-12(16)6-4-9-3-5-11(14)19-9/h3-6,8,10H,7H2,1-2H3,(H,15,16)(H,17,18)/b6-4+