1-[4-[3-[5-(4-azanyl-3-methyl-4-oxidanyl-butyl)thiophen-2-yl]prop-2-ynoxy]phenyl]ethanone

Systemtic Name: 1-[4-[3-[5-(4-azanyl-3-methyl-4-oxidanyl-butyl)thiophen-2-yl]prop-2-ynoxy]phenyl]ethanone Openeye Name: 1-[4-[3-[5-(4-amino-4-hydroxy-3-methyl-butyl)-2-thienyl]prop-2-ynoxy]phenyl]ethanone CAS Name: 1-[4-[3-[5-(4-amino-4-hydroxy-3-methylbutyl)-2-thiophenyl]prop-2-ynoxy]phenyl]ethanone IUPAC Name: 1-[4-[3-[5-(4-amino-4-hydroxy-3-methylbutyl)thiophen-2-yl]prop-2-ynoxy]phenyl]ethanone Traditional Name: 1-[4-[3-[5-(4-amino-4-hydroxy-3-methyl-butyl)-2-thienyl]prop-2-ynoxy]phenyl]ethanone Formula: C20H23NO3S MolecularWeight: 357.46652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(S1)C#CCOC2=CC=C(C=C2)C(=O)C)C(N)O

Isomeric SMILES

CC(CCC1=CC=C(S1)C#CCOC2=CC=C(C=C2)C(=O)C)C(N)O

InChI

InChI=1S/C20H23NO3S/c1-14(20(21)23)5-10-19-12-11-18(25-19)4-3-13-24-17-8-6-16(7-9-17)15(2)22/h6-9,11-12,14,20,23H,5,10,13,21H2,1-2H3