1-[[(E)-3-(5-bromanylthiophen-2-yl)prop-2-enoyl]amino]cyclopentane-1-carboxylic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C(=O)O)NC(=O)C=CC2=CC=C(S2)Br

Isomeric SMILES

C1CCC(C1)(C(=O)O)NC(=O)/C=C/C2=CC=C(S2)Br

InChI

InChI=1S/C13H14BrNO3S/c14-10-5-3-9(19-10)4-6-11(16)15-13(12(17)18)7-1-2-8-13/h3-6H,1-2,7-8H2,(H,15,16)(H,17,18)/b6-4+