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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO3S/c1-21(22,15-23)13-12-18-10-11-20(26-18)19(24)9-4-3-6-16-7-5-8-17(14-16)25-2/h5,7-8,10-11,14,23H,3-4,6,9,12-13,15,22H2,1-2H3