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

Systemtic Name: 2-[[(E)-3-(5-bromanylthiophen-2-yl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[(E)-3-(5-bromo-2-thienyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(E)-3-(5-bromo-2-thiophenyl)-1-oxoprop-2-enyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[(E)-3-(5-bromo-2-thienyl)acryloyl]amino]-4-(methylthio)butyric acid Formula: C12H14BrNO3S2 MolecularWeight: 364.27846

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C=CC1=CC=C(S1)Br

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)/C=C/C1=CC=C(S1)Br

InChI

InChI=1S/C12H14BrNO3S2/c1-18-7-6-9(12(16)17)14-11(15)5-3-8-2-4-10(13)19-8/h2-5,9H,6-7H2,1H3,(H,14,15)(H,16,17)/b5-3+