1-[2-[4-[(3S,4R)-7-methoxy-3-phenyl-3,4-dihydro-1H-isothiochromen-4-yl]phenoxy]ethyl]pyrrolidine

Systemtic Name: 1-[2-[4-[(3S,4R)-7-methoxy-3-phenyl-3,4-dihydro-1H-isothiochromen-4-yl]phenoxy]ethyl]pyrrolidine Openeye Name: 1-[2-[4-[(3S,4R)-7-methoxy-3-phenyl-isothiochroman-4-yl]phenoxy]ethyl]pyrrolidine CAS Name: 1-[2-[4-[(3S,4R)-7-methoxy-3-phenyl-3,4-dihydro-1H-2-benzothiopyran-4-yl]phenoxy]ethyl]pyrrolidine IUPAC Name: 1-[2-[4-[(3S,4R)-7-methoxy-3-phenyl-3,4-dihydro-1H-isothiochromen-4-yl]phenoxy]ethyl]pyrrolidine Traditional Name: 1-[2-[4-[(3S,4R)-7-methoxy-3-phenyl-isothiochroman-4-yl]phenoxy]ethyl]pyrrolidine Formula: C28H31NO2S MolecularWeight: 445.61624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(C(SC2)C3=CC=CC=C3)C4=CC=C(C=C4)OCCN5CCCC5

Isomeric SMILES

COC1=CC2=C(C=C1)[C@H]([C@H](SC2)C3=CC=CC=C3)C4=CC=C(C=C4)OCCN5CCCC5

InChI

InChI=1S/C28H31NO2S/c1-30-25-13-14-26-23(19-25)20-32-28(22-7-3-2-4-8-22)27(26)21-9-11-24(12-10-21)31-18-17-29-15-5-6-16-29/h2-4,7-14,19,27-28H,5-6,15-18,20H2,1H3/t27-,28-/m1/s1