2-[2-(4-chlorophenyl)sulfanylpropanoyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[2-(4-chlorophenyl)sulfanylpropanoyl-methyl-amino]ethanoic acid Openeye Name: 2-[2-(4-chlorophenyl)sulfanylpropanoyl-methyl-amino]acetic acid CAS Name: 2-[[2-[(4-chlorophenyl)thio]-1-oxopropyl]-methylamino]acetic acid IUPAC Name: 2-[2-(4-chlorophenyl)sulfanylpropanoyl-methylamino]acetic acid Traditional Name: 2-[2-[(4-chlorophenyl)thio]propanoyl-methyl-amino]acetic acid Formula: C12H14ClNO3S MolecularWeight: 287.76246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC(=O)O)SC1=CC=C(C=C1)Cl

Isomeric SMILES

CC(C(=O)N(C)CC(=O)O)SC1=CC=C(C=C1)Cl

InChI

InChI=1S/C12H14ClNO3S/c1-8(12(17)14(2)7-11(15)16)18-10-5-3-9(13)4-6-10/h3-6,8H,7H2,1-2H3,(H,15,16)