2-[3-(4-chlorophenyl)sulfanylpropanoyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[3-(4-chlorophenyl)sulfanylpropanoyl-methyl-amino]ethanoic acid Openeye Name: 2-[3-(4-chlorophenyl)sulfanylpropanoyl-methyl-amino]acetic acid CAS Name: 2-[[3-[(4-chlorophenyl)thio]-1-oxopropyl]-methylamino]acetic acid IUPAC Name: 2-[3-(4-chlorophenyl)sulfanylpropanoyl-methylamino]acetic acid Traditional Name: 2-[3-[(4-chlorophenyl)thio]propanoyl-methyl-amino]acetic acid Formula: C12H14ClNO3S MolecularWeight: 287.76246

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)C(=O)CCSC1=CC=C(C=C1)Cl

Isomeric SMILES

CN(CC(=O)O)C(=O)CCSC1=CC=C(C=C1)Cl

InChI

InChI=1S/C12H14ClNO3S/c1-14(8-12(16)17)11(15)6-7-18-10-4-2-9(13)3-5-10/h2-5H,6-8H2,1H3,(H,16,17)