7-methoxy-3-phenyl-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,3-dihydrothiochromen-4-ol

Systemtic Name: 7-methoxy-3-phenyl-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,3-dihydrothiochromen-4-ol Openeye Name: 7-methoxy-3-phenyl-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]thiochroman-4-ol CAS Name: 7-methoxy-3-phenyl-4-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-2,3-dihydro-1-benzothiopyran-4-ol IUPAC Name: 7-methoxy-3-phenyl-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,3-dihydrothiochromen-4-ol Traditional Name: 7-methoxy-3-phenyl-4-[4-(2-pyrrolidinoethoxy)phenyl]thiochroman-4-ol Formula: C28H31NO3S MolecularWeight: 461.61564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(C(CS2)C3=CC=CC=C3)(C4=CC=C(C=C4)OCCN5CCCC5)O

Isomeric SMILES

COC1=CC2=C(C=C1)C(C(CS2)C3=CC=CC=C3)(C4=CC=C(C=C4)OCCN5CCCC5)O

InChI

InChI=1S/C28H31NO3S/c1-31-24-13-14-25-27(19-24)33-20-26(21-7-3-2-4-8-21)28(25,30)22-9-11-23(12-10-22)32-18-17-29-15-5-6-16-29/h2-4,7-14,19,26,30H,5-6,15-18,20H2,1H3