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

Systemtic Name: 2-[(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methylamino]-3-(phenylmethylsulfanyl)propan-1-ol Openeye Name: 2-[(7-benzyloxychroman-2-yl)methylamino]-3-benzylsulfanyl-propan-1-ol CAS Name: 2-[(7-phenylmethoxy-3,4-dihydro-2H-1-benzopyran-2-yl)methylamino]-3-(phenylmethylthio)-1-propanol IUPAC Name: 3-benzylsulfanyl-2-[(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methylamino]propan-1-ol Traditional Name: 2-[(7-benzoxychroman-2-yl)methylamino]-3-(benzylthio)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)OC1CNC(CO)CSCC4=CC=CC=C4

Isomeric SMILES

C1CC2=C(C=C(C=C2)OCC3=CC=CC=C3)OC1CNC(CO)CSCC4=CC=CC=C4

InChI

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