2-[2-ethyl-4-(oxidanylamino)phenyl]-2-[(3-methylsulfanylphenyl)methyl]butanedial

Systemtic Name: 2-[2-ethyl-4-(oxidanylamino)phenyl]-2-[(3-methylsulfanylphenyl)methyl]butanedial Openeye Name: 2-[2-ethyl-4-(hydroxyamino)phenyl]-2-[(3-methylsulfanylphenyl)methyl]butanedial CAS Name: 2-[2-ethyl-4-(hydroxyamino)phenyl]-2-[[3-(methylthio)phenyl]methyl]butanedial IUPAC Name: 2-[2-ethyl-4-(hydroxyamino)phenyl]-2-[(3-methylsulfanylphenyl)methyl]butanedial Traditional Name: 2-[2-ethyl-4-(hydroxyamino)phenyl]-2-[3-(methylthio)benzyl]succinaldehyde Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)NO)C(CC=O)(CC2=CC(=CC=C2)SC)C=O

Isomeric SMILES

CCC1=C(C=CC(=C1)NO)C(CC=O)(CC2=CC(=CC=C2)SC)C=O

InChI

InChI=1S/C20H23NO3S/c1-3-16-12-17(21-24)7-8-19(16)20(14-23,9-10-22)13-15-5-4-6-18(11-15)25-2/h4-8,10-12,14,21,24H,3,9,13H2,1-2H3