4-[[2-[(5-bromanylthiophen-2-yl)methyl-ethyl-amino]-2-oxidanylidene-ethyl]amino]butanoic acid

Systemtic Name: 4-[[2-[(5-bromanylthiophen-2-yl)methyl-ethyl-amino]-2-oxidanylidene-ethyl]amino]butanoic acid Openeye Name: 4-[[2-[(5-bromo-2-thienyl)methyl-ethyl-amino]-2-oxo-ethyl]amino]butanoic acid CAS Name: 4-[[2-[(5-bromo-2-thiophenyl)methyl-ethylamino]-2-oxoethyl]amino]butanoic acid IUPAC Name: 4-[[2-[(5-bromothiophen-2-yl)methyl-ethylamino]-2-oxoethyl]amino]butanoic acid Traditional Name: 4-[[2-[(5-bromo-2-thienyl)methyl-ethyl-amino]-2-keto-ethyl]amino]butyric acid Formula: C13H19BrN2O3S MolecularWeight: 363.27056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19BrN2O3S/c1-2-16(9-10-5-6-11(14)20-10)12(17)8-15-7-3-4-13(18)19/h5-6,15H,2-4,7-9H2,1H3,(H,18,19)