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

Systemtic Name: 1-[5-(3-azanyl-3-methyl-4-oxidanyl-butyl)thiophen-2-yl]-4-(3,4-dimethoxyphenyl)butan-1-one Openeye Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-2-thienyl]-4-(3,4-dimethoxyphenyl)butan-1-one CAS Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)-2-thiophenyl]-4-(3,4-dimethoxyphenyl)-1-butanone IUPAC Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)thiophen-2-yl]-4-(3,4-dimethoxyphenyl)butan-1-one Traditional Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-2-thienyl]-4-(3,4-dimethoxyphenyl)butan-1-one Formula: C21H29NO4S MolecularWeight: 391.52426

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(S1)C(=O)CCCC2=CC(=C(C=C2)OC)OC)(CO)N

Isomeric SMILES

CC(CCC1=CC=C(S1)C(=O)CCCC2=CC(=C(C=C2)OC)OC)(CO)N

InChI

InChI=1S/C21H29NO4S/c1-21(22,14-23)12-11-16-8-10-20(27-16)17(24)6-4-5-15-7-9-18(25-2)19(13-15)26-3/h7-10,13,23H,4-6,11-12,14,22H2,1-3H3