2-[[2-(2-methylpropyl)-3-methylsulfanyl-4-(oxidanylamino)phenyl]methyl]butanedial

Systemtic Name: 2-[[2-(2-methylpropyl)-3-methylsulfanyl-4-(oxidanylamino)phenyl]methyl]butanedial Openeye Name: 2-[[4-(hydroxyamino)-2-isobutyl-3-methylsulfanyl-phenyl]methyl]butanedial CAS Name: 2-[[4-(hydroxyamino)-2-(2-methylpropyl)-3-(methylthio)phenyl]methyl]butanedial IUPAC Name: 2-[[4-(hydroxyamino)-2-(2-methylpropyl)-3-methylsulfanylphenyl]methyl]butanedial Traditional Name: 2-[4-(hydroxyamino)-2-isobutyl-3-(methylthio)benzyl]succinaldehyde Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C=CC(=C1SC)NO)CC(CC=O)C=O

Isomeric SMILES

CC(C)CC1=C(C=CC(=C1SC)NO)CC(CC=O)C=O

InChI

InChI=1S/C16H23NO3S/c1-11(2)8-14-13(9-12(10-19)6-7-18)4-5-15(17-20)16(14)21-3/h4-5,7,10-12,17,20H,6,8-9H2,1-3H3