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

Systemtic Name: 2-[[2-[(5-bromanylthiophen-2-yl)methyl-ethyl-amino]-2-oxidanylidene-ethyl]-methyl-amino]ethanoic acid Openeye Name: 2-[[2-[(5-bromo-2-thienyl)methyl-ethyl-amino]-2-oxo-ethyl]-methyl-amino]acetic acid CAS Name: 2-[[2-[(5-bromo-2-thiophenyl)methyl-ethylamino]-2-oxoethyl]-methylamino]acetic acid IUPAC Name: 2-[[2-[(5-bromothiophen-2-yl)methyl-ethylamino]-2-oxoethyl]-methylamino]acetic acid Traditional Name: 2-[[2-[(5-bromo-2-thienyl)methyl-ethyl-amino]-2-keto-ethyl]-methyl-amino]acetic acid Formula: C12H17BrN2O3S MolecularWeight: 349.24398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17BrN2O3S/c1-3-15(6-9-4-5-10(13)19-9)11(16)7-14(2)8-12(17)18/h4-5H,3,6-8H2,1-2H3,(H,17,18)