3-(3-hydroxyphenyl)-2-[4-(2-pyrrolidin-1-ylpropoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol

Systemtic Name: 3-(3-hydroxyphenyl)-2-[4-(2-pyrrolidin-1-ylpropoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol Openeye Name: 3-(3-hydroxyphenyl)-2-[4-(2-pyrrolidin-1-ylpropoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol CAS Name: 3-(3-hydroxyphenyl)-2-[4-[2-(1-pyrrolidinyl)propoxy]phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol IUPAC Name: 3-(3-hydroxyphenyl)-2-[4-(2-pyrrolidin-1-ylpropoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol Traditional Name: 3-(3-hydroxyphenyl)-2-[4-(2-pyrrolidinopropoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol Formula: C27H29NO4S MolecularWeight: 463.58846

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=CC=C(C=C1)C2C(SC3=C(O2)C=CC(=C3)O)C4=CC(=CC=C4)O)N5CCCC5

Isomeric SMILES

CC(COC1=CC=C(C=C1)C2C(SC3=C(O2)C=CC(=C3)O)C4=CC(=CC=C4)O)N5CCCC5

InChI

InChI=1S/C27H29NO4S/c1-18(28-13-2-3-14-28)17-31-23-10-7-19(8-11-23)26-27(20-5-4-6-21(29)15-20)33-25-16-22(30)9-12-24(25)32-26/h4-12,15-16,18,26-27,29-30H,2-3,13-14,17H2,1H3