5-butyl-3-tert-butyl-4-oxidanyl-thiophene-2-carbaldehyde; 2-[methyl(phenyl)amino]ethanamide

Systemtic Name: 5-butyl-3-tert-butyl-4-oxidanyl-thiophene-2-carbaldehyde; 2-[methyl(phenyl)amino]ethanamide Openeye Name: 5-butyl-3-tert-butyl-4-hydroxy-thiophene-2-carbaldehyde; 2-(N-methylanilino)acetamide CAS Name: 5-butyl-3-tert-butyl-4-hydroxy-2-thiophenecarboxaldehyde; 2-(N-methylanilino)acetamide IUPAC Name: 5-butyl-3-tert-butyl-4-hydroxythiophene-2-carbaldehyde; 2-(N-methylanilino)acetamide Traditional Name: 5-butyl-3-tert-butyl-4-hydroxy-thiophene-2-carbaldehyde; 2-(N-methylanilino)acetamide Formula: C22H32N2O3S MolecularWeight: 404.56608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(S1)C=O)C(C)(C)C)O.CN(CC(=O)N)C1=CC=CC=C1

Isomeric SMILES

CCCCC1=C(C(=C(S1)C=O)C(C)(C)C)O.CN(CC(=O)N)C1=CC=CC=C1

InChI

InChI=1S/C13H20O2S.C9H12N2O/c1-5-6-7-9-12(15)11(13(2,3)4)10(8-14)16-9;1-11(7-9(10)12)8-5-3-2-4-6-8/h8,15H,5-7H2,1-4H3;2-6H,7H2,1H3,(H2,10,12)