methyl 2-[[2,5-bis(oxidanyl)phenyl]methyl-methyl-amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[2,5-bis(oxidanyl)phenyl]methyl-methyl-amino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[(2,5-dihydroxyphenyl)methyl-methyl-amino]-4-methylsulfanyl-butanoate CAS Name: 2-[(2,5-dihydroxyphenyl)methyl-methylamino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[(2,5-dihydroxyphenyl)methyl-methylamino]-4-methylsulfanylbutanoate Traditional Name: 2-[(2,5-dihydroxybenzyl)-methyl-amino]-4-(methylthio)butyric acid methyl ester Formula: C14H21NO4S MolecularWeight: 299.38584

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)O)O)C(CCSC)C(=O)OC

Isomeric SMILES

CN(CC1=C(C=CC(=C1)O)O)C(CCSC)C(=O)OC

InChI

InChI=1S/C14H21NO4S/c1-15(12(6-7-20-3)14(18)19-2)9-10-8-11(16)4-5-13(10)17/h4-5,8,12,16-17H,6-7,9H2,1-3H3