S-[4-(3-azanyl-3-methyl-4-phosphonooxy-butyl)phenyl] 5-phenoxypentanethioate

Systemtic Name: S-[4-(3-azanyl-3-methyl-4-phosphonooxy-butyl)phenyl] 5-phenoxypentanethioate Openeye Name: S-[4-(3-amino-3-methyl-4-phosphonooxy-butyl)phenyl] 5-phenoxypentanethioate CAS Name: 5-phenoxypentanethioic acid S-[4-(3-amino-3-methyl-4-phosphonooxybutyl)phenyl] ester IUPAC Name: S-[4-(3-amino-3-methyl-4-phosphonooxybutyl)phenyl] 5-phenoxypentanethioate Traditional Name: 5-phenoxypentanethioic acid S-[4-(3-amino-3-methyl-4-phosphonooxy-butyl)phenyl] ester Formula: C22H30NO6PS MolecularWeight: 467.515461

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)SC(=O)CCCCOC2=CC=CC=C2)(COP(=O)(O)O)N

Isomeric SMILES

CC(CCC1=CC=C(C=C1)SC(=O)CCCCOC2=CC=CC=C2)(COP(=O)(O)O)N

InChI

InChI=1S/C22H30NO6PS/c1-22(23,17-29-30(25,26)27)15-14-18-10-12-20(13-11-18)31-21(24)9-5-6-16-28-19-7-3-2-4-8-19/h2-4,7-8,10-13H,5-6,9,14-17,23H2,1H3,(H2,25,26,27)