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6-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-6-oxidanylidene-hexanoic acid

6-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-6-oxidanylidene-hexanoic acid

Systemtic Name:6-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-6-oxidanylidene-hexanoic acid
Openeye Name:6-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-6-oxo-hexanoic acid
CAS Name:6-[methyl-[[4-(methylthio)phenyl]methyl]amino]-6-oxohexanoic acid
IUPAC Name:6-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-6-oxohexanoic acid
Traditional Name:6-keto-6-[methyl-[4-(methylthio)benzyl]amino]hexanoic acid
Formula: C15H21NO3S
MolecularWeight: 295.39714
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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)C(=O)CCCCC(=O)O


Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)C(=O)CCCCC(=O)O


InChI

InChI=1S/C15H21NO3S/c1-16(14(17)5-3-4-6-15(18)19)11-12-7-9-13(20-2)10-8-12/h7-10H,3-6,11H2,1-2H3,(H,18,19)


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