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

Systemtic Name: 4-[[(E)-3-(5-bromanylthiophen-2-yl)prop-2-enoyl]-methyl-amino]butanoic acid Openeye Name: 4-[[(E)-3-(5-bromo-2-thienyl)prop-2-enoyl]-methyl-amino]butanoic acid CAS Name: 4-[[(E)-3-(5-bromo-2-thiophenyl)-1-oxoprop-2-enyl]-methylamino]butanoic acid IUPAC Name: 4-[[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]-methylamino]butanoic acid Traditional Name: 4-[[(E)-3-(5-bromo-2-thienyl)acryloyl]-methyl-amino]butyric acid Formula: C12H14BrNO3S MolecularWeight: 332.21346

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C(=O)C=CC1=CC=C(S1)Br

Isomeric SMILES

CN(CCCC(=O)O)C(=O)/C=C/C1=CC=C(S1)Br

InChI

InChI=1S/C12H14BrNO3S/c1-14(8-2-3-12(16)17)11(15)7-5-9-4-6-10(13)18-9/h4-7H,2-3,8H2,1H3,(H,16,17)/b7-5+