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

Systemtic Name: 1-[5-(3-azanyl-3-methyl-4-oxidanyl-butyl)thiophen-2-yl]-4-(3,4-dimethylphenoxy)butan-1-one Openeye Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-2-thienyl]-4-(3,4-dimethylphenoxy)butan-1-one CAS Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)-2-thiophenyl]-4-(3,4-dimethylphenoxy)-1-butanone IUPAC Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)thiophen-2-yl]-4-(3,4-dimethylphenoxy)butan-1-one Traditional Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-2-thienyl]-4-(3,4-dimethylphenoxy)butan-1-one Formula: C21H29NO3S MolecularWeight: 375.52486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCCCC(=O)C2=CC=C(S2)CCC(C)(CO)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCCCC(=O)C2=CC=C(S2)CCC(C)(CO)N)C

InChI

InChI=1S/C21H29NO3S/c1-15-6-7-17(13-16(15)2)25-12-4-5-19(24)20-9-8-18(26-20)10-11-21(3,22)14-23/h6-9,13,23H,4-5,10-12,14,22H2,1-3H3