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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)OCC#CC2=CC=C(S2)CCC(C)(CO)N

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)OCC#CC2=CC=C(S2)CCC(C)(CO)N

InChI

InChI=1S/C20H23NO3S/c1-15(23)16-5-3-6-17(13-16)24-12-4-7-18-8-9-19(25-18)10-11-20(2,21)14-22/h3,5-6,8-9,13,22H,10-12,14,21H2,1-2H3