4-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyl-methyl-amino]butanoic acid

Systemtic Name: 4-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyl-methyl-amino]butanoic acid Openeye Name: 4-[[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]-methyl-amino]butanoic acid CAS Name: 4-[[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]-methylamino]butanoic acid IUPAC Name: 4-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]-methylamino]butanoic acid Traditional Name: 4-[[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]-methyl-amino]butyric acid Formula: C14H18BrNO3S MolecularWeight: 360.26662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)N(C)CCCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)N(C)CCCC(=O)O

InChI

InChI=1S/C14H18BrNO3S/c1-10-8-11(15)5-6-12(10)20-9-13(17)16(2)7-3-4-14(18)19/h5-6,8H,3-4,7,9H2,1-2H3,(H,18,19)