3-[2-[(2-bromophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-[(2-bromophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-[(2-bromophenyl)methyl-methyl-amino]-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-[(2-bromobenzyl)-methyl-amino]-2-keto-ethyl]thio]propionic acid Formula: C13H16BrNO3S MolecularWeight: 346.24004

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1Br)C(=O)CSCCC(=O)O

Isomeric SMILES

CN(CC1=CC=CC=C1Br)C(=O)CSCCC(=O)O

InChI

InChI=1S/C13H16BrNO3S/c1-15(8-10-4-2-3-5-11(10)14)12(16)9-19-7-6-13(17)18/h2-5H,6-9H2,1H3,(H,17,18)