3-[[(4-chlorophenyl)amino]-pyridin-3-yl-methyl]sulfanylpropanoic acid

Systemtic Name: 3-[[(4-chlorophenyl)amino]-pyridin-3-yl-methyl]sulfanylpropanoic acid Openeye Name: 3-[(4-chloroanilino)-(3-pyridyl)methyl]sulfanylpropanoic acid CAS Name: 3-[[(4-chloroanilino)-(3-pyridinyl)methyl]thio]propanoic acid IUPAC Name: 3-[(4-chloroanilino)-pyridin-3-ylmethyl]sulfanylpropanoic acid Traditional Name: 3-[[(4-chloroanilino)-(3-pyridyl)methyl]thio]propionic acid Formula: C15H15ClN2O2S MolecularWeight: 322.8098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(NC2=CC=C(C=C2)Cl)SCCC(=O)O

Isomeric SMILES

C1=CC(=CN=C1)C(NC2=CC=C(C=C2)Cl)SCCC(=O)O

InChI

InChI=1S/C15H15ClN2O2S/c16-12-3-5-13(6-4-12)18-15(21-9-7-14(19)20)11-2-1-8-17-10-11/h1-6,8,10,15,18H,7,9H2,(H,19,20)