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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(S1)C(=O)CCCCC2=CC(=C(C=C2)OC)OC)(CO)N

Isomeric SMILES

CC(CCC1=CC=C(S1)C(=O)CCCCC2=CC(=C(C=C2)OC)OC)(CO)N

InChI

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