3-butan-2-yl-5-methyl-4-oxidanyl-3-phenyl-2H-thiophene-2-carbaldehyde; 2-(methylamino)ethanol

Systemtic Name: 3-butan-2-yl-5-methyl-4-oxidanyl-3-phenyl-2H-thiophene-2-carbaldehyde; 2-(methylamino)ethanol Openeye Name: 4-hydroxy-5-methyl-3-phenyl-3-sec-butyl-2H-thiophene-2-carbaldehyde; 2-(methylamino)ethanol CAS Name: 3-butan-2-yl-4-hydroxy-5-methyl-3-phenyl-2H-thiophene-2-carboxaldehyde; 2-(methylamino)ethanol IUPAC Name: 3-butan-2-yl-4-hydroxy-5-methyl-3-phenyl-2H-thiophene-2-carbaldehyde; 2-(methylamino)ethanol Traditional Name: 4-hydroxy-5-methyl-3-phenyl-3-sec-butyl-2H-thiophene-2-carbaldehyde; 2-(methylamino)ethanol Formula: C19H29NO3S MolecularWeight: 351.50346

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1(C(SC(=C1O)C)C=O)C2=CC=CC=C2.CNCCO

Isomeric SMILES

CCC(C)C1(C(SC(=C1O)C)C=O)C2=CC=CC=C2.CNCCO

InChI

InChI=1S/C16H20O2S.C3H9NO/c1-4-11(2)16(13-8-6-5-7-9-13)14(10-17)19-12(3)15(16)18;1-4-2-3-5/h5-11,14,18H,4H2,1-3H3;4-5H,2-3H2,1H3