2-azanyl-4-[5-[4-[(3,5-dimethylphenyl)methoxy]but-1-ynyl]thiophen-2-yl]-2-methyl-butan-1-ol

Systemtic Name: 2-azanyl-4-[5-[4-[(3,5-dimethylphenyl)methoxy]but-1-ynyl]thiophen-2-yl]-2-methyl-butan-1-ol Openeye Name: 2-amino-4-[5-[4-[(3,5-dimethylphenyl)methoxy]but-1-ynyl]-2-thienyl]-2-methyl-butan-1-ol CAS Name: 2-amino-4-[5-[4-[(3,5-dimethylphenyl)methoxy]but-1-ynyl]-2-thiophenyl]-2-methyl-1-butanol IUPAC Name: 2-amino-4-[5-[4-[(3,5-dimethylphenyl)methoxy]but-1-ynyl]thiophen-2-yl]-2-methylbutan-1-ol Traditional Name: 2-amino-4-[5-[4-(3,5-dimethylbenzyl)oxybut-1-ynyl]-2-thienyl]-2-methyl-butan-1-ol Formula: C22H29NO2S MolecularWeight: 371.53616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)COCCC#CC2=CC=C(S2)CCC(C)(CO)N)C

Isomeric SMILES

CC1=CC(=CC(=C1)COCCC#CC2=CC=C(S2)CCC(C)(CO)N)C

InChI

InChI=1S/C22H29NO2S/c1-17-12-18(2)14-19(13-17)15-25-11-5-4-6-20-7-8-21(26-20)9-10-22(3,23)16-24/h7-8,12-14,24H,5,9-11,15-16,23H2,1-3H3