2-[butan-2-yl-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)-2-oxidanyl-propyl]amino]benzene-1,3-diol

Systemtic Name: 2-[butan-2-yl-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)-2-oxidanyl-propyl]amino]benzene-1,3-diol Openeye Name: 2-[(2-hydroxy-3-thiochroman-8-yloxy-propyl)-sec-butyl-amino]benzene-1,3-diol CAS Name: 2-[butan-2-yl-[3-(3,4-dihydro-2H-1-benzothiopyran-8-yloxy)-2-hydroxypropyl]amino]benzene-1,3-diol IUPAC Name: 2-[butan-2-yl-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)-2-hydroxypropyl]amino]benzene-1,3-diol Traditional Name: 2-[(2-hydroxy-3-thiochroman-8-yloxy-propyl)-sec-butyl-amino]resorcinol Formula: C22H29NO4S MolecularWeight: 403.53496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC(COC1=CC=CC2=C1SCCC2)O)C3=C(C=CC=C3O)O

Isomeric SMILES

CCC(C)N(CC(COC1=CC=CC2=C1SCCC2)O)C3=C(C=CC=C3O)O

InChI

InChI=1S/C22H29NO4S/c1-3-15(2)23(21-18(25)9-5-10-19(21)26)13-17(24)14-27-20-11-4-7-16-8-6-12-28-22(16)20/h4-5,7,9-11,15,17,24-26H,3,6,8,12-14H2,1-2H3