2-methyl-2-[(4-methylsulfanylphenyl)methylamino]pentanoic acid

Systemtic Name: 2-methyl-2-[(4-methylsulfanylphenyl)methylamino]pentanoic acid Openeye Name: 2-methyl-2-[(4-methylsulfanylphenyl)methylamino]pentanoic acid CAS Name: 2-methyl-2-[[4-(methylthio)phenyl]methylamino]pentanoic acid IUPAC Name: 2-methyl-2-[(4-methylsulfanylphenyl)methylamino]pentanoic acid Traditional Name: 2-methyl-2-[[4-(methylthio)benzyl]amino]valeric acid Formula: C14H21NO2S MolecularWeight: 267.38704

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)O)NCC1=CC=C(C=C1)SC

Isomeric SMILES

CCCC(C)(C(=O)O)NCC1=CC=C(C=C1)SC

InChI

InChI=1S/C14H21NO2S/c1-4-9-14(2,13(16)17)15-10-11-5-7-12(18-3)8-6-11/h5-8,15H,4,9-10H2,1-3H3,(H,16,17)