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

Systemtic Name: 1-[5-(3-azanyl-3-methyl-4-oxidanyl-butyl)-4-methyl-thiophen-2-yl]-4-phenoxy-butan-1-one Openeye Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-4-methyl-2-thienyl]-4-phenoxy-butan-1-one CAS Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)-4-methyl-2-thiophenyl]-4-phenoxy-1-butanone IUPAC Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)-4-methylthiophen-2-yl]-4-phenoxybutan-1-one Traditional Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-4-methyl-2-thienyl]-4-phenoxy-butan-1-one Formula: C20H27NO3S MolecularWeight: 361.49828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)C(=O)CCCOC2=CC=CC=C2)CCC(C)(CO)N

Isomeric SMILES

CC1=C(SC(=C1)C(=O)CCCOC2=CC=CC=C2)CCC(C)(CO)N

InChI

InChI=1S/C20H27NO3S/c1-15-13-19(25-18(15)10-11-20(2,21)14-22)17(23)9-6-12-24-16-7-4-3-5-8-16/h3-5,7-8,13,22H,6,9-12,14,21H2,1-2H3