1-[5-(3-azanyl-3-methyl-4-oxidanyl-butyl)thiophen-2-yl]-5-(3-ethanoylphenyl)pentan-1-one

Systemtic Name: 1-[5-(3-azanyl-3-methyl-4-oxidanyl-butyl)thiophen-2-yl]-5-(3-ethanoylphenyl)pentan-1-one Openeye Name: 5-(3-acetylphenyl)-1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-2-thienyl]pentan-1-one CAS Name: 5-(3-acetylphenyl)-1-[5-(3-amino-4-hydroxy-3-methylbutyl)-2-thiophenyl]-1-pentanone IUPAC Name: 5-(3-acetylphenyl)-1-[5-(3-amino-4-hydroxy-3-methylbutyl)thiophen-2-yl]pentan-1-one Traditional Name: 5-(3-acetylphenyl)-1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-2-thienyl]pentan-1-one Formula: C22H29NO3S MolecularWeight: 387.53556

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)CCCCC(=O)C2=CC=C(S2)CCC(C)(CO)N

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)CCCCC(=O)C2=CC=C(S2)CCC(C)(CO)N

InChI

InChI=1S/C22H29NO3S/c1-16(25)18-8-5-7-17(14-18)6-3-4-9-20(26)21-11-10-19(27-21)12-13-22(2,23)15-24/h5,7-8,10-11,14,24H,3-4,6,9,12-13,15,23H2,1-2H3