3-[[2-[[(2R)-7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl]methylamino]phenyl]methylsulfanyl]propan-1-ol

Systemtic Name: 3-[[2-[[(2R)-7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl]methylamino]phenyl]methylsulfanyl]propan-1-ol Openeye Name: 3-[[2-[[(2R)-7-benzyloxychroman-2-yl]methylamino]phenyl]methylsulfanyl]propan-1-ol CAS Name: 3-[[2-[[(2R)-7-phenylmethoxy-3,4-dihydro-2H-1-benzopyran-2-yl]methylamino]phenyl]methylthio]-1-propanol IUPAC Name: 3-[[2-[[(2R)-7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl]methylamino]phenyl]methylsulfanyl]propan-1-ol Traditional Name: 3-[[2-[[(2R)-7-benzoxychroman-2-yl]methylamino]benzyl]thio]propan-1-ol Formula: C27H31NO3S MolecularWeight: 449.60494

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(C=C2)OCC3=CC=CC=C3)OC1CNC4=CC=CC=C4CSCCCO

Isomeric SMILES

C1CC2=C(C=C(C=C2)OCC3=CC=CC=C3)O[C@H]1CNC4=CC=CC=C4CSCCCO

InChI

InChI=1S/C27H31NO3S/c29-15-6-16-32-20-23-9-4-5-10-26(23)28-18-25-14-12-22-11-13-24(17-27(22)31-25)30-19-21-7-2-1-3-8-21/h1-5,7-11,13,17,25,28-29H,6,12,14-16,18-20H2/t25-/m1/s1