2-[[(E)-3-(5-bromanylthiophen-2-yl)prop-2-enoyl]amino]-2-cyclopropyl-propanoic acid

Systemtic Name: 2-[[(E)-3-(5-bromanylthiophen-2-yl)prop-2-enoyl]amino]-2-cyclopropyl-propanoic acid Openeye Name: 2-[[(E)-3-(5-bromo-2-thienyl)prop-2-enoyl]amino]-2-cyclopropyl-propanoic acid CAS Name: 2-[[(E)-3-(5-bromo-2-thiophenyl)-1-oxoprop-2-enyl]amino]-2-cyclopropylpropanoic acid IUPAC Name: 2-[[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]amino]-2-cyclopropylpropanoic acid Traditional Name: 2-[[(E)-3-(5-bromo-2-thienyl)acryloyl]amino]-2-cyclopropyl-propionic acid Formula: C13H14BrNO3S MolecularWeight: 344.22416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)(C(=O)O)NC(=O)C=CC2=CC=C(S2)Br

Isomeric SMILES

CC(C1CC1)(C(=O)O)NC(=O)/C=C/C2=CC=C(S2)Br

InChI

InChI=1S/C13H14BrNO3S/c1-13(12(17)18,8-2-3-8)15-11(16)7-5-9-4-6-10(14)19-9/h4-8H,2-3H2,1H3,(H,15,16)(H,17,18)/b7-5+