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

Systemtic Name: S-[4-(3-azanyl-3-methyl-4-phosphonooxy-butyl)phenyl] 3-phenoxypropanethioate Openeye Name: S-[4-(3-amino-3-methyl-4-phosphonooxy-butyl)phenyl] 3-phenoxypropanethioate CAS Name: 3-phenoxypropanethioic acid S-[4-(3-amino-3-methyl-4-phosphonooxybutyl)phenyl] ester IUPAC Name: S-[4-(3-amino-3-methyl-4-phosphonooxybutyl)phenyl] 3-phenoxypropanethioate Traditional Name: 3-phenoxypropanethioic acid S-[4-(3-amino-3-methyl-4-phosphonooxy-butyl)phenyl] ester Formula: C20H26NO6PS MolecularWeight: 439.462301

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)SC(=O)CCOC2=CC=CC=C2)(COP(=O)(O)O)N

Isomeric SMILES

CC(CCC1=CC=C(C=C1)SC(=O)CCOC2=CC=CC=C2)(COP(=O)(O)O)N

InChI

InChI=1S/C20H26NO6PS/c1-20(21,15-27-28(23,24)25)13-11-16-7-9-18(10-8-16)29-19(22)12-14-26-17-5-3-2-4-6-17/h2-10H,11-15,21H2,1H3,(H2,23,24,25)