2-(4-tert-butylphenyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazole

Systemtic Name: 2-(4-tert-butylphenyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazole Openeye Name: 2-(4-tert-butylphenyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiazole CAS Name: 2-(4-tert-butylphenyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiazole IUPAC Name: 2-(4-tert-butylphenyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazole Traditional Name: 2-(4-tert-butylphenyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiazole Formula: C22H23NO2S MolecularWeight: 365.48852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC(=CS2)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC(=CS2)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H23NO2S/c1-22(2,3)17-8-5-15(6-9-17)21-23-18(14-26-21)16-7-10-19-20(13-16)25-12-4-11-24-19/h5-10,13-14H,4,11-12H2,1-3H3