5-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-5-oxo-pentanoic acid CAS Name: 5-[methyl-[[4-(methylthio)phenyl]methyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-5-oxopentanoic acid Traditional Name: 5-keto-5-[methyl-[4-(methylthio)benzyl]amino]valeric acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3S/c1-15(13(16)4-3-5-14(17)18)10-11-6-8-12(19-2)9-7-11/h6-9H,3-5,10H2,1-2H3,(H,17,18)