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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN(CC(=O)O)C(=O)C=CC2=CC=C(S2)Br

Isomeric SMILES

C1CC1CN(CC(=O)O)C(=O)/C=C/C2=CC=C(S2)Br

InChI

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