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

Systemtic Name: 1-[5-(3-azanyl-3-methyl-4-oxidanyl-butyl)thiophen-2-yl]-4-(4-methoxyphenoxy)butan-1-one Openeye Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-2-thienyl]-4-(4-methoxyphenoxy)butan-1-one CAS Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)-2-thiophenyl]-4-(4-methoxyphenoxy)-1-butanone IUPAC Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)thiophen-2-yl]-4-(4-methoxyphenoxy)butan-1-one Traditional Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-2-thienyl]-4-(4-methoxyphenoxy)butan-1-one Formula: C20H27NO4S MolecularWeight: 377.49768

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(S1)C(=O)CCCOC2=CC=C(C=C2)OC)(CO)N

Isomeric SMILES

CC(CCC1=CC=C(S1)C(=O)CCCOC2=CC=C(C=C2)OC)(CO)N

InChI

InChI=1S/C20H27NO4S/c1-20(21,14-22)12-11-17-9-10-19(26-17)18(23)4-3-13-25-16-7-5-15(24-2)6-8-16/h5-10,22H,3-4,11-14,21H2,1-2H3