3-[2-[(5-bromanylthiophen-2-yl)methyl-ethyl-amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-[(5-bromanylthiophen-2-yl)methyl-ethyl-amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-[(5-bromo-2-thienyl)methyl-ethyl-amino]-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-[(5-bromo-2-thiophenyl)methyl-ethylamino]-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-[(5-bromothiophen-2-yl)methyl-ethylamino]-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-[(5-bromo-2-thienyl)methyl-ethyl-amino]-2-keto-ethyl]thio]propionic acid Formula: C12H16BrNO3S2 MolecularWeight: 366.29434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16BrNO3S2/c1-2-14(7-9-3-4-10(13)19-9)11(15)8-18-6-5-12(16)17/h3-4H,2,5-8H2,1H3,(H,16,17)