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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)C(=O)CCCOCC2=CC=CC=C2)CCC(C)(CO)N

Isomeric SMILES

CC1=C(SC(=C1)C(=O)CCCOCC2=CC=CC=C2)CCC(C)(CO)N

InChI

InChI=1S/C21H29NO3S/c1-16-13-20(26-19(16)10-11-21(2,22)15-23)18(24)9-6-12-25-14-17-7-4-3-5-8-17/h3-5,7-8,13,23H,6,9-12,14-15,22H2,1-2H3