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

Systemtic Name: 2-[[(E)-3-(5-bromanylthiophen-2-yl)prop-2-enoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[(E)-3-(5-bromo-2-thienyl)prop-2-enoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[(E)-3-(5-bromo-2-thiophenyl)-1-oxoprop-2-enyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[(E)-3-(5-bromo-2-thienyl)acryloyl]amino]-3-methyl-butyric acid Formula: C12H14BrNO3S MolecularWeight: 332.21346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14BrNO3S/c1-7(2)11(12(16)17)14-10(15)6-4-8-3-5-9(13)18-8/h3-7,11H,1-2H3,(H,14,15)(H,16,17)/b6-4+