2-(4-chlorophenyl)sulfanyl-2-(methylamino)pentanoic acid

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-2-(methylamino)pentanoic acid Openeye Name: 2-(4-chlorophenyl)sulfanyl-2-(methylamino)pentanoic acid CAS Name: 2-[(4-chlorophenyl)thio]-2-(methylamino)pentanoic acid IUPAC Name: 2-(4-chlorophenyl)sulfanyl-2-(methylamino)pentanoic acid Traditional Name: 2-[(4-chlorophenyl)thio]-2-(methylamino)valeric acid Formula: C12H16ClNO2S MolecularWeight: 273.77894

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)(NC)SC1=CC=C(C=C1)Cl

Isomeric SMILES

CCCC(C(=O)O)(NC)SC1=CC=C(C=C1)Cl

InChI

InChI=1S/C12H16ClNO2S/c1-3-8-12(14-2,11(15)16)17-10-6-4-9(13)5-7-10/h4-7,14H,3,8H2,1-2H3,(H,15,16)