(3S,4R)-3-phenyl-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-1H-isothiochromen-7-ol

Systemtic Name: (3S,4R)-3-phenyl-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-1H-isothiochromen-7-ol Openeye Name: (3S,4R)-3-phenyl-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]isothiochroman-7-ol CAS Name: (3S,4R)-3-phenyl-4-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-3,4-dihydro-1H-2-benzothiopyran-7-ol IUPAC Name: (3S,4R)-3-phenyl-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-1H-isothiochromen-7-ol Traditional Name: (3S,4R)-3-phenyl-4-[4-(2-pyrrolidinoethoxy)phenyl]isothiochroman-7-ol Formula: C27H29NO2S MolecularWeight: 431.58966

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOC2=CC=C(C=C2)C3C(SCC4=C3C=CC(=C4)O)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)CCOC2=CC=C(C=C2)[C@H]3[C@H](SCC4=C3C=CC(=C4)O)C5=CC=CC=C5

InChI

InChI=1S/C27H29NO2S/c29-23-10-13-25-22(18-23)19-31-27(21-6-2-1-3-7-21)26(25)20-8-11-24(12-9-20)30-17-16-28-14-4-5-15-28/h1-3,6-13,18,26-27,29H,4-5,14-17,19H2/t26-,27-/m1/s1