2-[diethylamino(phenyl)methyl]sulfanylethanoic acid

Systemtic Name: 2-[diethylamino(phenyl)methyl]sulfanylethanoic acid Openeye Name: 2-[diethylamino(phenyl)methyl]sulfanylacetic acid CAS Name: 2-[[diethylamino(phenyl)methyl]thio]acetic acid IUPAC Name: 2-[diethylamino(phenyl)methyl]sulfanylacetic acid Traditional Name: 2-[[diethylamino(phenyl)methyl]thio]acetic acid Formula: C13H19NO2S MolecularWeight: 253.36046

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(C1=CC=CC=C1)SCC(=O)O

Isomeric SMILES

CCN(CC)C(C1=CC=CC=C1)SCC(=O)O

InChI

InChI=1S/C13H19NO2S/c1-3-14(4-2)13(17-10-12(15)16)11-8-6-5-7-9-11/h5-9,13H,3-4,10H2,1-2H3,(H,15,16)