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

Systemtic Name: 1-[5-(3-azanyl-3-methyl-4-oxidanyl-butyl)-4-methyl-thiophen-2-yl]-4-(3,4-dimethoxyphenyl)butan-1-one Openeye Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-4-methyl-2-thienyl]-4-(3,4-dimethoxyphenyl)butan-1-one CAS Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)-4-methyl-2-thiophenyl]-4-(3,4-dimethoxyphenyl)-1-butanone IUPAC Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)-4-methylthiophen-2-yl]-4-(3,4-dimethoxyphenyl)butan-1-one Traditional Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-4-methyl-2-thienyl]-4-(3,4-dimethoxyphenyl)butan-1-one Formula: C22H31NO4S MolecularWeight: 405.55084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)C(=O)CCCC2=CC(=C(C=C2)OC)OC)CCC(C)(CO)N

Isomeric SMILES

CC1=C(SC(=C1)C(=O)CCCC2=CC(=C(C=C2)OC)OC)CCC(C)(CO)N

InChI

InChI=1S/C22H31NO4S/c1-15-12-21(28-20(15)10-11-22(2,23)14-24)17(25)7-5-6-16-8-9-18(26-3)19(13-16)27-4/h8-9,12-13,24H,5-7,10-11,14,23H2,1-4H3