2-[2-[[(E)-3-(5-bromanylthiophen-2-yl)prop-2-enoyl]amino]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[[(E)-3-(5-bromanylthiophen-2-yl)prop-2-enoyl]amino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[[(E)-3-(5-bromo-2-thienyl)prop-2-enoyl]amino]acetyl]amino]acetic acid CAS Name: 2-[[2-[[(E)-3-(5-bromo-2-thiophenyl)-1-oxoprop-2-enyl]amino]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]amino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[[(E)-3-(5-bromo-2-thienyl)acryloyl]amino]acetyl]amino]acetic acid Formula: C11H11BrN2O4S MolecularWeight: 347.18504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)Br)C=CC(=O)NCC(=O)NCC(=O)O

Isomeric SMILES

C1=C(SC(=C1)Br)/C=C/C(=O)NCC(=O)NCC(=O)O

InChI

InChI=1S/C11H11BrN2O4S/c12-8-3-1-7(19-8)2-4-9(15)13-5-10(16)14-6-11(17)18/h1-4H,5-6H2,(H,13,15)(H,14,16)(H,17,18)/b4-2+