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

Systemtic Name: (3S,4R)-3-phenyl-4-[4-(2-pyrrolidin-1-ylethylsulfanyl)phenyl]-3,4-dihydro-2H-chromen-7-ol Openeye Name: (3S,4R)-3-phenyl-4-[4-(2-pyrrolidin-1-ylethylsulfanyl)phenyl]chroman-7-ol CAS Name: (3S,4R)-3-phenyl-4-[4-[2-(1-pyrrolidinyl)ethylthio]phenyl]-3,4-dihydro-2H-1-benzopyran-7-ol IUPAC Name: (3S,4R)-3-phenyl-4-[4-(2-pyrrolidin-1-ylethylsulfanyl)phenyl]-3,4-dihydro-2H-chromen-7-ol Traditional Name: (3S,4R)-3-phenyl-4-[4-(2-pyrrolidinoethylthio)phenyl]chroman-7-ol Formula: C27H29NO2S MolecularWeight: 431.58966

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCSC2=CC=C(C=C2)C3C(COC4=C3C=CC(=C4)O)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)CCSC2=CC=C(C=C2)[C@H]3[C@H](COC4=C3C=CC(=C4)O)C5=CC=CC=C5

InChI

InChI=1S/C27H29NO2S/c29-22-10-13-24-26(18-22)30-19-25(20-6-2-1-3-7-20)27(24)21-8-11-23(12-9-21)31-17-16-28-14-4-5-15-28/h1-3,6-13,18,25,27,29H,4-5,14-17,19H2/t25-,27-/m1/s1